2-chloro-3,4,5-triphenyl-1H-pyrrole

C22H16ClN — CID 174984725

IUPAC2-chloro-3,4,5-triphenyl-1H-pyrrole
SMILESClc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H16ClN/c23-22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(24-22)18-14-8-3-9-15-18/h1-15,24H
InChIKeyFMHRYSMPDYUHHZ-UHFFFAOYSA-N
MW329.83 g/mol
LogP6.67
Rot. Bonds3

About 2-chloro-3,4,5-triphenyl-1H-pyrrole

2-chloro-3,4,5-triphenyl-1H-pyrrole (PubChem CID 174984725) has the molecular formula C22H16ClN and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-chloro-3,4,5-triphenyl-1H-pyrrole.

Molecular Properties

Compound Name2-chloro-3,4,5-triphenyl-1H-pyrrole
PubChem CID174984725
Molecular FormulaC22H16ClN
Molecular Weight329.83 g/mol
Exact Mass329.10
IUPAC Name2-chloro-3,4,5-triphenyl-1H-pyrrole
SMILESClc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H16ClN/c23-22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(24-22)18-14-8-3-9-15-18/h1-15,24H
InChIKeyFMHRYSMPDYUHHZ-UHFFFAOYSA-N
XLogP6.67
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.83
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2-chloro-3,4,5-triphenyl-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-triphenyl-1H-pyrrol-2-amine
CID 172835095
2,5-dichloro-3,4-diphenylfuran
CID 139844341
6-chloro-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine
CID 45380817
6-chloro-3-ethyl-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 88817038
4,5-dichloro-N-ethyl-N-methyl-2-phenyl-1H-pyrrol-3-amine
CID 141172749
2-amino-4,5-diphenyl-1H-pyrrole-3-carbonitrile
CID 102016835
4-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole
CID 132534551
2,3-dichloro-4,5-diphenyl-1H-indole
CID 151613749
4-[2-(4-phenylphenyl)-1H-indol-3-yl]phenol
CID 132917859
3-(4-tert-butylphenyl)-2-phenyl-1H-indole
CID 12065981
5-(4-chlorophenyl)-4-phenyl-3H-1,3-oxazole-2-thione
CID 54410912
2,3-diphenyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine
CID 86341844

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,4,5-triphenyl-1H-pyrrole?
The IUPAC name of 2-chloro-3,4,5-triphenyl-1H-pyrrole (CID 174984725) is 2-chloro-3,4,5-triphenyl-1H-pyrrole.
What is the SMILES notation for 2-chloro-3,4,5-triphenyl-1H-pyrrole?
The canonical SMILES for 2-chloro-3,4,5-triphenyl-1H-pyrrole is Clc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-chloro-3,4,5-triphenyl-1H-pyrrole?
The InChIKey is FMHRYSMPDYUHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN/c23-22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(24-22)18-14-8-3-9-15-18/h1-15,24H.
What are the key properties of 2-chloro-3,4,5-triphenyl-1H-pyrrole?
2-chloro-3,4,5-triphenyl-1H-pyrrole has a molecular weight of 329.83 g/mol, XLogP of 6.67, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,4,5-triphenyl-1H-pyrrole is sourced from PubChem (CID 174984725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).