1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone

C30H24N2O2 — CID 118529858

IUPAC1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2c[nH]c(-c3cccc(-c4cc(-c5ccc(C(C)=O)cc5)c[nH]4)c3)c2)cc1
InChIInChI=1S/C30H24N2O2/c1-19(33)21-6-10-23(11-7-21)27-15-29(31-17-27)25-4-3-5-26(14-25)30-16-28(18-32-30)24-12-8-22(9-13-24)20(2)34/h3-18,31-32H,1-2H3
InChIKeyNTVGTTJFRLWWHW-UHFFFAOYSA-N
MW444.53 g/mol
LogP7.42
Rot. Bonds6

About 1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone

1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone (PubChem CID 118529858) has the molecular formula C30H24N2O2 and a molecular weight of 444.53 g/mol. Its IUPAC name is 1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone
PubChem CID118529858
Molecular FormulaC30H24N2O2
Molecular Weight444.53 g/mol
Exact Mass444.18
IUPAC Name1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2c[nH]c(-c3cccc(-c4cc(-c5ccc(C(C)=O)cc5)c[nH]4)c3)c2)cc1
InChIInChI=1S/C30H24N2O2/c1-19(33)21-6-10-23(11-7-21)27-15-29(31-17-27)25-4-3-5-26(14-25)30-16-28(18-32-30)24-12-8-22(9-13-24)20(2)34/h3-18,31-32H,1-2H3
InChIKeyNTVGTTJFRLWWHW-UHFFFAOYSA-N
XLogP7.42
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[5-[3-[4-(2-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone
CID 135225657
5-(4-acetylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53223113
3-(4-acetylphenyl)-N-hydroxybenzeneamine oxide
CID 163179435
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
2-[3-(4-acetylphenyl)phenyl]acetate
CID 22930376
1-azulen-2-ylethanone
CID 15255141
1-[3-(1H-pyrazol-4-yl)phenyl]ethanone
CID 121358272
1-[3-(4-propan-2-ylphenyl)phenyl]ethanone
CID 61034135
N-methyl-2-[5-[3-[4-[2-(methylcarbamoyl)phenyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]benzamide
CID 118529854
(Z)-3-[3-(4-acetylphenyl)phenyl]prop-2-enamide
CID 170877551
4-(3-acetylphenyl)benzenediazonium
CID 175218117

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone (CID 118529858) is 1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone is CC(=O)c1ccc(-c2c[nH]c(-c3cccc(-c4cc(-c5ccc(C(C)=O)cc5)c[nH]4)c3)c2)cc1.
What is the InChIKey of 1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone?
The InChIKey is NTVGTTJFRLWWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O2/c1-19(33)21-6-10-23(11-7-21)27-15-29(31-17-27)25-4-3-5-26(14-25)30-16-28(18-32-30)24-12-8-22(9-13-24)20(2)34/h3-18,31-32H,1-2H3.
What are the key properties of 1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone?
1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone has a molecular weight of 444.53 g/mol, XLogP of 7.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone is sourced from PubChem (CID 118529858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).