(4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone

C23H14Cl2OS — CID 10938449

IUPAC(4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1sc(-c2ccc(Cl)cc2)cc1-c1ccccc1
InChIInChI=1S/C23H14Cl2OS/c24-18-10-6-16(7-11-18)21-14-20(15-4-2-1-3-5-15)23(27-21)22(26)17-8-12-19(25)13-9-17/h1-14H
InChIKeyRCTBKFWLKIFLEA-UHFFFAOYSA-N
MW409.34 g/mol
LogP7.62
Rot. Bonds4

About (4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone

(4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone (PubChem CID 10938449) has the molecular formula C23H14Cl2OS and a molecular weight of 409.34 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone
PubChem CID10938449
Molecular FormulaC23H14Cl2OS
Molecular Weight409.34 g/mol
Exact Mass408.01
IUPAC Name(4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1sc(-c2ccc(Cl)cc2)cc1-c1ccccc1
InChIInChI=1S/C23H14Cl2OS/c24-18-10-6-16(7-11-18)21-14-20(15-4-2-1-3-5-15)23(27-21)22(26)17-8-12-19(25)13-9-17/h1-14H
InChIKeyRCTBKFWLKIFLEA-UHFFFAOYSA-N
XLogP7.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.34
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)thiophen-2-yl]methanone
CID 10961144
[5-(4-bromobenzoyl)-4-(4-chlorophenyl)thiophen-2-yl]-(4-bromophenyl)methanone
CID 71573568
[5-(4-bromobenzoyl)-4-phenylthiophen-2-yl]-(4-bromophenyl)methanone
CID 102363758
2-carboxy-5-(4-chlorophenyl)-3-[4-(sulfinatoamino)phenyl]thiophene
CID 118213662
bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene
CID 70610303
[5-(4-chlorophenyl)-2-(dimethylamino)thiophen-3-yl]-phenylmethanone
CID 132849028
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
(4-chlorophenyl)-(6-phenylthieno[3,2-d][1,3]thiazol-5-yl)methanone
CID 102161166
phenyl-[5-[4-(2-phenylphenyl)phenyl]thiophen-3-yl]methanone;sulfane
CID 172747711
5-(4-chlorophenyl)-3-(methylamino)thiophene-2-carboxylic acid
CID 118486195
3-[(4-chlorobenzoyl)-(1-fluoropropan-2-yl)amino]-5-phenylthiophene-2-carboxylic acid
CID 70974268
[2-amino-4-(3-chlorophenyl)thiophen-3-yl]-(4-chlorophenyl)methanone
CID 25265551

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone (CID 10938449) is (4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone is O=C(c1ccc(Cl)cc1)c1sc(-c2ccc(Cl)cc2)cc1-c1ccccc1.
What is the InChIKey of (4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone?
The InChIKey is RCTBKFWLKIFLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2OS/c24-18-10-6-16(7-11-18)21-14-20(15-4-2-1-3-5-15)23(27-21)22(26)17-8-12-19(25)13-9-17/h1-14H.
What are the key properties of (4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone?
(4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone has a molecular weight of 409.34 g/mol, XLogP of 7.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone is sourced from PubChem (CID 10938449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).