5-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-2-phenylthiophene

C23H16Cl2S — CID 122221807

IUPAC5-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-2-phenylthiophene
SMILESClc1ccc(Cc2cc(-c3ccc(Cl)cc3)sc2-c2ccccc2)cc1
InChIInChI=1S/C23H16Cl2S/c24-20-10-6-16(7-11-20)14-19-15-22(17-8-12-21(25)13-9-17)26-23(19)18-4-2-1-3-5-18/h1-13,15H,14H2
InChIKeyNIRLTOIWMLKPDU-UHFFFAOYSA-N
MW395.35 g/mol
LogP7.98
Rot. Bonds4

About 5-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-2-phenylthiophene

5-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-2-phenylthiophene (PubChem CID 122221807) has the molecular formula C23H16Cl2S and a molecular weight of 395.35 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-2-phenylthiophene.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-2-phenylthiophene
PubChem CID122221807
Molecular FormulaC23H16Cl2S
Molecular Weight395.35 g/mol
Exact Mass394.03
IUPAC Name5-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-2-phenylthiophene
SMILESClc1ccc(Cc2cc(-c3ccc(Cl)cc3)sc2-c2ccccc2)cc1
InChIInChI=1S/C23H16Cl2S/c24-20-10-6-16(7-11-20)14-19-15-22(17-8-12-21(25)13-9-17)26-23(19)18-4-2-1-3-5-18/h1-13,15H,14H2
InChIKeyNIRLTOIWMLKPDU-UHFFFAOYSA-N
XLogP7.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.35
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-2-phenylthiophene?
The IUPAC name of 5-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-2-phenylthiophene (CID 122221807) is 5-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-2-phenylthiophene.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-2-phenylthiophene?
The canonical SMILES for 5-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-2-phenylthiophene is Clc1ccc(Cc2cc(-c3ccc(Cl)cc3)sc2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-2-phenylthiophene?
The InChIKey is NIRLTOIWMLKPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2S/c24-20-10-6-16(7-11-20)14-19-15-22(17-8-12-21(25)13-9-17)26-23(19)18-4-2-1-3-5-18/h1-13,15H,14H2.
What are the key properties of 5-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-2-phenylthiophene?
5-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-2-phenylthiophene has a molecular weight of 395.35 g/mol, XLogP of 7.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-2-phenylthiophene is sourced from PubChem (CID 122221807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).