<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 04:52:35 UTC</creation_date>
  <update_date>2026-08-19 22:59:38 UTC</update_date>
  <accession/>
  <common_name>1,1':3',1''-Terphenyl</common_name>
  <class>SmallMolecule</class>
  <description>1,1':3',1''-Terphenyl (C18H14) is an organic compound with an average molecular weight of 230.31 g/mol. 1,1':3',1''-Terphenyl belongs to the terphenyls, a subclass of benzene and substituted derivatives within the organic compounds.

This substance is found in or released from 23 recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, amplifiers, auxiliary devices, coils, and conductors or conductive bodies characterised by the conductive materials, among eight other sources. In the realm of household cleaning and consumer products, it is linked to bleaching agents, soap detergents, perfumes within detergents and soaps, cigar cigarettes, and tobacco smoke filters. Furthermore, it is identified in food, food processing, and cookware, specifically in the preparation of malt, food preservation, fermentation processes for beer, and the processing of meats. In the building and construction sector, it is found in tents or canopies.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>3-phenyl-1,1'-biphenyl</synonym>
  </synonyms>
  <chemical_formula>C18H14</chemical_formula>
  <average_molecular_weight>230.31</average_molecular_weight>
  <monisotopic_moleculate_weight>230.109550451</monisotopic_moleculate_weight>
  <iupac_name>3-phenyl-1,1'-biphenyl</iupac_name>
  <traditional_iupac>3-phenyl-1,1'-biphenyl</traditional_iupac>
  <cas_registry_number>92-06-8</cas_registry_number>
  <smiles>C1=CC=C(C=C1)C1=CC(=CC=C1)C1=CC=CC=C1</smiles>
  <inchi>InChI=1S/C18H14/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-14H</inchi>
  <inchikey>YJTKZCDBKVTVBY-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Benzenoids</super_class>
    <class>Benzene and substituted derivatives</class>
    <sub_class>Terphenyls</sub_class>
    <direct_parent>M-terphenyls</direct_parent>
    <alternate_parents>
      <alternative_parent>Aromatic hydrocarbons</alternative_parent>
      <alternative_parent>Biphenyls and derivatives</alternative_parent>
      <alternative_parent>Unsaturated hydrocarbons</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aromatic homomonocyclic compound</substituent>
      <substituent>Aromatic hydrocarbon</substituent>
      <substituent>Biphenyl</substituent>
      <substituent>Hydrocarbon</substituent>
      <substituent>Meta-terphenyl</substituent>
      <substituent>Unsaturated hydrocarbon</substituent>
    </substituents>
    <molecular_framework>Aromatic homomonocyclic compounds</molecular_framework>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>5.6</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>5.70</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-6.27</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.23e-04 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>5.27</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>3-phenyl-1,1'-biphenyl</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>230.31</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>230.109550451</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C1=CC=C(C=C1)C1=CC(=CC=C1)C1=CC=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C18H14</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C18H14/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-14H</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>YJTKZCDBKVTVBY-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>76.33</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>27.3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
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  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf3353ca8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>7076</pubchem_compound_id>
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