(4-chlorophenyl)-[2-(4-chlorophenyl)-1H-indol-3-yl]methanone

C21H13Cl2NO — CID 56666560

IUPAC(4-chlorophenyl)-[2-(4-chlorophenyl)-1H-indol-3-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C21H13Cl2NO/c22-15-9-5-13(6-10-15)20-19(17-3-1-2-4-18(17)24-20)21(25)14-7-11-16(23)12-8-14/h1-12,24H
InChIKeyJFOQHOOKGZPPQP-UHFFFAOYSA-N
MW366.25 g/mol
LogP6.37
Rot. Bonds3

About (4-chlorophenyl)-[2-(4-chlorophenyl)-1H-indol-3-yl]methanone

(4-chlorophenyl)-[2-(4-chlorophenyl)-1H-indol-3-yl]methanone (PubChem CID 56666560) has the molecular formula C21H13Cl2NO and a molecular weight of 366.25 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(4-chlorophenyl)-1H-indol-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(4-chlorophenyl)-1H-indol-3-yl]methanone
PubChem CID56666560
Molecular FormulaC21H13Cl2NO
Molecular Weight366.25 g/mol
Exact Mass365.04
IUPAC Name(4-chlorophenyl)-[2-(4-chlorophenyl)-1H-indol-3-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C21H13Cl2NO/c22-15-9-5-13(6-10-15)20-19(17-3-1-2-4-18(17)24-20)21(25)14-7-11-16(23)12-8-14/h1-12,24H
InChIKeyJFOQHOOKGZPPQP-UHFFFAOYSA-N
XLogP6.37
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.25
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(4-chlorophenyl)-1H-indol-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-(4-chlorophenyl)-1H-indol-3-yl]methanone (CID 56666560) is (4-chlorophenyl)-[2-(4-chlorophenyl)-1H-indol-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-(4-chlorophenyl)-1H-indol-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-(4-chlorophenyl)-1H-indol-3-yl]methanone is O=C(c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12.
What is the InChIKey of (4-chlorophenyl)-[2-(4-chlorophenyl)-1H-indol-3-yl]methanone?
The InChIKey is JFOQHOOKGZPPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2NO/c22-15-9-5-13(6-10-15)20-19(17-3-1-2-4-18(17)24-20)21(25)14-7-11-16(23)12-8-14/h1-12,24H.
What are the key properties of (4-chlorophenyl)-[2-(4-chlorophenyl)-1H-indol-3-yl]methanone?
(4-chlorophenyl)-[2-(4-chlorophenyl)-1H-indol-3-yl]methanone has a molecular weight of 366.25 g/mol, XLogP of 6.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(4-chlorophenyl)-1H-indol-3-yl]methanone is sourced from PubChem (CID 56666560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).