2,3,5-tris(4-chlorophenyl)-4-phenylthiophene

C28H17Cl3S — CID 139964410

IUPAC2,3,5-tris(4-chlorophenyl)-4-phenylthiophene
SMILESClc1ccc(-c2sc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C28H17Cl3S/c29-22-12-6-19(7-13-22)26-25(18-4-2-1-3-5-18)27(20-8-14-23(30)15-9-20)32-28(26)21-10-16-24(31)17-11-21/h1-17H
InChIKeyIZJJNSPYMLTCTD-UHFFFAOYSA-N
MW491.87 g/mol
LogP10.38
Rot. Bonds4

About 2,3,5-tris(4-chlorophenyl)-4-phenylthiophene

2,3,5-tris(4-chlorophenyl)-4-phenylthiophene (PubChem CID 139964410) has the molecular formula C28H17Cl3S and a molecular weight of 491.87 g/mol. Its IUPAC name is 2,3,5-tris(4-chlorophenyl)-4-phenylthiophene.

Molecular Properties

Compound Name2,3,5-tris(4-chlorophenyl)-4-phenylthiophene
PubChem CID139964410
Molecular FormulaC28H17Cl3S
Molecular Weight491.87 g/mol
Exact Mass490.01
IUPAC Name2,3,5-tris(4-chlorophenyl)-4-phenylthiophene
SMILESClc1ccc(-c2sc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C28H17Cl3S/c29-22-12-6-19(7-13-22)26-25(18-4-2-1-3-5-18)27(20-8-14-23(30)15-9-20)32-28(26)21-10-16-24(31)17-11-21/h1-17H
InChIKeyIZJJNSPYMLTCTD-UHFFFAOYSA-N
XLogP10.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.87
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-(4-chlorophenyl)-4-ethyl-3-phenylthiophen-2-amine
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3,4,5-triphenylthiophene-2-thiol
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4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine
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4-[5-(4-bromophenyl)-3,4-diphenylthiophen-2-yl]-N,N-diphenylaniline
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2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-phenylthiophene
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Frequently Asked Questions

What is the IUPAC name of 2,3,5-tris(4-chlorophenyl)-4-phenylthiophene?
The IUPAC name of 2,3,5-tris(4-chlorophenyl)-4-phenylthiophene (CID 139964410) is 2,3,5-tris(4-chlorophenyl)-4-phenylthiophene.
What is the SMILES notation for 2,3,5-tris(4-chlorophenyl)-4-phenylthiophene?
The canonical SMILES for 2,3,5-tris(4-chlorophenyl)-4-phenylthiophene is Clc1ccc(-c2sc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of 2,3,5-tris(4-chlorophenyl)-4-phenylthiophene?
The InChIKey is IZJJNSPYMLTCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17Cl3S/c29-22-12-6-19(7-13-22)26-25(18-4-2-1-3-5-18)27(20-8-14-23(30)15-9-20)32-28(26)21-10-16-24(31)17-11-21/h1-17H.
What are the key properties of 2,3,5-tris(4-chlorophenyl)-4-phenylthiophene?
2,3,5-tris(4-chlorophenyl)-4-phenylthiophene has a molecular weight of 491.87 g/mol, XLogP of 10.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tris(4-chlorophenyl)-4-phenylthiophene is sourced from PubChem (CID 139964410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).