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

C33H25ClN2O — CID 164671440

IUPAC(4-chlorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]-2,4-diphenylpyrrol-3-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1c(-c2ccccc2)cn(CCc2c[nH]c3ccccc23)c1-c1ccccc1
InChIInChI=1S/C33H25ClN2O/c34-27-17-15-25(16-18-27)33(37)31-29(23-9-3-1-4-10-23)22-36(32(31)24-11-5-2-6-12-24)20-19-26-21-35-30-14-8-7-13-28(26)30/h1-18,21-22,35H,19-20H2
InChIKeyJNBYXSPFZIBIJA-UHFFFAOYSA-N
MW501.03 g/mol
LogP8.43
Rot. Bonds7

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

(4-chlorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]-2,4-diphenylpyrrol-3-yl]methanone (PubChem CID 164671440) has the molecular formula C33H25ClN2O and a molecular weight of 501.03 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]-2,4-diphenylpyrrol-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]-2,4-diphenylpyrrol-3-yl]methanone
PubChem CID164671440
Molecular FormulaC33H25ClN2O
Molecular Weight501.03 g/mol
Exact Mass500.17
IUPAC Name(4-chlorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]-2,4-diphenylpyrrol-3-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1c(-c2ccccc2)cn(CCc2c[nH]c3ccccc23)c1-c1ccccc1
InChIInChI=1S/C33H25ClN2O/c34-27-17-15-25(16-18-27)33(37)31-29(23-9-3-1-4-10-23)22-36(32(31)24-11-5-2-6-12-24)20-19-26-21-35-30-14-8-7-13-28(26)30/h1-18,21-22,35H,19-20H2
InChIKeyJNBYXSPFZIBIJA-UHFFFAOYSA-N
XLogP8.43
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.03
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis[4-[2-(1H-indol-3-yl)ethyl]phenyl]methanone
CID 91093763
4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2088419
3-(4-chlorophenyl)sulfanyl-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110558539
5-(4-chlorophenyl)-11-[2-(1H-indol-3-yl)ethyl]-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496849
2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 906603
(5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[2-(1H-indol-3-yl)ethyl]-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 1497556
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[2-(1H-indol-3-yl)ethyl]-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 5299916
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
CID 157231418
4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
CID 26710991
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[2-(1H-indol-3-yl)ethyl]-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 17038208
4-chloro-N-[N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide
CID 2950550
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]-2,4-diphenylpyrrol-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]-2,4-diphenylpyrrol-3-yl]methanone (CID 164671440) is (4-chlorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]-2,4-diphenylpyrrol-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]-2,4-diphenylpyrrol-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]-2,4-diphenylpyrrol-3-yl]methanone is O=C(c1ccc(Cl)cc1)c1c(-c2ccccc2)cn(CCc2c[nH]c3ccccc23)c1-c1ccccc1.
What is the InChIKey of (4-chlorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]-2,4-diphenylpyrrol-3-yl]methanone?
The InChIKey is JNBYXSPFZIBIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25ClN2O/c34-27-17-15-25(16-18-27)33(37)31-29(23-9-3-1-4-10-23)22-36(32(31)24-11-5-2-6-12-24)20-19-26-21-35-30-14-8-7-13-28(26)30/h1-18,21-22,35H,19-20H2.
What are the key properties of (4-chlorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]-2,4-diphenylpyrrol-3-yl]methanone?
(4-chlorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]-2,4-diphenylpyrrol-3-yl]methanone has a molecular weight of 501.03 g/mol, XLogP of 8.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]-2,4-diphenylpyrrol-3-yl]methanone is sourced from PubChem (CID 164671440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).