[5-[(5-benzoyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-phenylmethanone

C29H22N2O2 — CID 10765076

IUPAC[5-[(5-benzoyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(C(c2ccccc2)c2ccc(C(=O)c3ccccc3)[nH]2)[nH]1
InChIInChI=1S/C29H22N2O2/c32-28(21-12-6-2-7-13-21)25-18-16-23(30-25)27(20-10-4-1-5-11-20)24-17-19-26(31-24)29(33)22-14-8-3-9-15-22/h1-19,27,30-31H
InChIKeyRXIALZOMUDWMAS-UHFFFAOYSA-N
MW430.51 g/mol
LogP5.99
Rot. Bonds7

About [5-[(5-benzoyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-phenylmethanone

[5-[(5-benzoyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-phenylmethanone (PubChem CID 10765076) has the molecular formula C29H22N2O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is [5-[(5-benzoyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-[(5-benzoyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-phenylmethanone
PubChem CID10765076
Molecular FormulaC29H22N2O2
Molecular Weight430.51 g/mol
Exact Mass430.17
IUPAC Name[5-[(5-benzoyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(C(c2ccccc2)c2ccc(C(=O)c3ccccc3)[nH]2)[nH]1
InChIInChI=1S/C29H22N2O2/c32-28(21-12-6-2-7-13-21)25-18-16-23(30-25)27(20-10-4-1-5-11-20)24-17-19-26(31-24)29(33)22-14-8-3-9-15-22/h1-19,27,30-31H
InChIKeyRXIALZOMUDWMAS-UHFFFAOYSA-N
XLogP5.99
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [5-[(5-benzoyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-phenylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[(5-benzoyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-phenylmethanone?
The IUPAC name of [5-[(5-benzoyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-phenylmethanone (CID 10765076) is [5-[(5-benzoyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-phenylmethanone.
What is the SMILES notation for [5-[(5-benzoyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-phenylmethanone?
The canonical SMILES for [5-[(5-benzoyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-phenylmethanone is O=C(c1ccccc1)c1ccc(C(c2ccccc2)c2ccc(C(=O)c3ccccc3)[nH]2)[nH]1.
What is the InChIKey of [5-[(5-benzoyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-phenylmethanone?
The InChIKey is RXIALZOMUDWMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O2/c32-28(21-12-6-2-7-13-21)25-18-16-23(30-25)27(20-10-4-1-5-11-20)24-17-19-26(31-24)29(33)22-14-8-3-9-15-22/h1-19,27,30-31H.
What are the key properties of [5-[(5-benzoyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-phenylmethanone?
[5-[(5-benzoyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-phenylmethanone has a molecular weight of 430.51 g/mol, XLogP of 5.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-benzoyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-phenylmethanone is sourced from PubChem (CID 10765076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).