2,2'-Bithiophene, 5-phenyl-

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Basic information

CAS: 1665-31-2
Standard SMILES: c1ccc(-c2ccc(-c3cccs3)s2)cc1
InChIKey: FJDUBXOCPMPNNX-UHFFFAOYSA-N
Molecular formula: C14H10S2
Average molar mass: 242.4 g/mol
Monoisotopic mass: 242.02239267

Names & identifiers

Preferred name: 2,2'-Bithiophene, 5-phenyl-
IUPAC: 2-phenyl-5-thiophen-2-ylthiophene

Names & synonyms

5-Phenyl-2,2'-bithiophene2,2'-Bithiophene, 5-phenyl-1665-31-2DTXSID00168114RefChem:242229DTXCID20906052-phenyl-5-(2-thienyl)thiopheneBithiophene Ph deriv.3-Phenyl-2,2'-bithiophene5-phenyl[2,2'-bithienyl]SCHEMBL4983615-phenyl-[2,2'-bithienyl]

Show more names

SCHEMBL10470838FJDUBXOCPMPNNX-UHFFFAOYSA-N

Database identifiers

CAS: 1665-31-2
PubChem CID: 454757
DTXSID: DTXSID00168114
Nikkaji: J1.491.855H

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 56.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 223

Related reactions

6 records

New reaction record

HRID 466914As productuspto-grants-1992_10

HRID 838246As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1206004As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1571680As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2165129As reactantuspto-grants-1990_07

HRID 2165131As reactantuspto-grants-1990_07

Compound notes

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