(3,5-diphenyl-1H-pyrrol-2-yl)-phenylmethanone

C23H17NO — CID 629610

IUPAC(3,5-diphenyl-1H-pyrrol-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1[nH]c(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C23H17NO/c25-23(19-14-8-3-9-15-19)22-20(17-10-4-1-5-11-17)16-21(24-22)18-12-6-2-7-13-18/h1-16,24H
InChIKeyIRWNHPBSUNSPME-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.58
Rot. Bonds4

About (3,5-diphenyl-1H-pyrrol-2-yl)-phenylmethanone

(3,5-diphenyl-1H-pyrrol-2-yl)-phenylmethanone (PubChem CID 629610) has the molecular formula C23H17NO and a molecular weight of 323.40 g/mol. Its IUPAC name is (3,5-diphenyl-1H-pyrrol-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3,5-diphenyl-1H-pyrrol-2-yl)-phenylmethanone
PubChem CID629610
Molecular FormulaC23H17NO
Molecular Weight323.40 g/mol
Exact Mass323.13
IUPAC Name(3,5-diphenyl-1H-pyrrol-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1[nH]c(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C23H17NO/c25-23(19-14-8-3-9-15-19)22-20(17-10-4-1-5-11-17)16-21(24-22)18-12-6-2-7-13-18/h1-16,24H
InChIKeyIRWNHPBSUNSPME-UHFFFAOYSA-N
XLogP5.58
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,5-diphenyl-1H-pyrrol-2-yl)-phenylmethanone?
The IUPAC name of (3,5-diphenyl-1H-pyrrol-2-yl)-phenylmethanone (CID 629610) is (3,5-diphenyl-1H-pyrrol-2-yl)-phenylmethanone.
What is the SMILES notation for (3,5-diphenyl-1H-pyrrol-2-yl)-phenylmethanone?
The canonical SMILES for (3,5-diphenyl-1H-pyrrol-2-yl)-phenylmethanone is O=C(c1ccccc1)c1[nH]c(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of (3,5-diphenyl-1H-pyrrol-2-yl)-phenylmethanone?
The InChIKey is IRWNHPBSUNSPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO/c25-23(19-14-8-3-9-15-19)22-20(17-10-4-1-5-11-17)16-21(24-22)18-12-6-2-7-13-18/h1-16,24H.
What are the key properties of (3,5-diphenyl-1H-pyrrol-2-yl)-phenylmethanone?
(3,5-diphenyl-1H-pyrrol-2-yl)-phenylmethanone has a molecular weight of 323.40 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diphenyl-1H-pyrrol-2-yl)-phenylmethanone is sourced from PubChem (CID 629610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).