2-(4-chlorophenyl)-1,5-diphenylpyrrole

C22H16ClN — CID 12741718

IUPAC2-(4-chlorophenyl)-1,5-diphenylpyrrole
SMILESClc1ccc(-c2ccc(-c3ccccc3)n2-c2ccccc2)cc1
InChIInChI=1S/C22H16ClN/c23-19-13-11-18(12-14-19)22-16-15-21(17-7-3-1-4-8-17)24(22)20-9-5-2-6-10-20/h1-16H
InChIKeyVVAUARBZUXJKCQ-UHFFFAOYSA-N
MW329.83 g/mol
LogP6.46
Rot. Bonds3

About 2-(4-chlorophenyl)-1,5-diphenylpyrrole

2-(4-chlorophenyl)-1,5-diphenylpyrrole (PubChem CID 12741718) has the molecular formula C22H16ClN and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,5-diphenylpyrrole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,5-diphenylpyrrole
PubChem CID12741718
Molecular FormulaC22H16ClN
Molecular Weight329.83 g/mol
Exact Mass329.10
IUPAC Name2-(4-chlorophenyl)-1,5-diphenylpyrrole
SMILESClc1ccc(-c2ccc(-c3ccccc3)n2-c2ccccc2)cc1
InChIInChI=1S/C22H16ClN/c23-19-13-11-18(12-14-19)22-16-15-21(17-7-3-1-4-8-17)24(22)20-9-5-2-6-10-20/h1-16H
InChIKeyVVAUARBZUXJKCQ-UHFFFAOYSA-N
XLogP6.46
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.83
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1,5-diphenylpyrrol-2-yl)-1-(4-fluorophenyl)-5-phenylpyrrole
CID 86230988
3-(4-chlorophenyl)-9-phenylcarbazole
CID 59365524
3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole
CID 11077118
N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
CID 6882945
1,2,6-triphenylpyridin-4-one
CID 13088641
1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-methylmethanamine
CID 171342960
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl-trimethylazanium iodide
CID 10412266
1-(3-chloro-4-fluorophenyl)-2-methyl-5-phenylpyrrole
CID 4763712
1-(4-chlorophenyl)-2-phenylquinolin-4-one
CID 102287989
4-[3-(4-chlorophenyl)-5-phenylphenyl]-9-phenylcarbazole
CID 176878196
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone
CID 141193496
3-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole-2-thione
CID 23629014

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1,5-diphenylpyrrole?
The IUPAC name of 2-(4-chlorophenyl)-1,5-diphenylpyrrole (CID 12741718) is 2-(4-chlorophenyl)-1,5-diphenylpyrrole.
What is the SMILES notation for 2-(4-chlorophenyl)-1,5-diphenylpyrrole?
The canonical SMILES for 2-(4-chlorophenyl)-1,5-diphenylpyrrole is Clc1ccc(-c2ccc(-c3ccccc3)n2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1,5-diphenylpyrrole?
The InChIKey is VVAUARBZUXJKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN/c23-19-13-11-18(12-14-19)22-16-15-21(17-7-3-1-4-8-17)24(22)20-9-5-2-6-10-20/h1-16H.
What are the key properties of 2-(4-chlorophenyl)-1,5-diphenylpyrrole?
2-(4-chlorophenyl)-1,5-diphenylpyrrole has a molecular weight of 329.83 g/mol, XLogP of 6.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1,5-diphenylpyrrole is sourced from PubChem (CID 12741718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).