1-[5-(C-benzhydryl-N-benzylcarbonimidoyl)cyclopenta-1,3-dien-1-yl]-2,2-diphenylethanone

C40H33NO — CID 90690798

IUPAC1-[5-(C-benzhydryl-N-benzylcarbonimidoyl)cyclopenta-1,3-dien-1-yl]-2,2-diphenylethanone
SMILESO=C(C1=CC=CC1/C(=N/Cc1ccccc1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H33NO/c42-40(38(33-23-12-4-13-24-33)34-25-14-5-15-26-34)36-28-16-27-35(36)39(41-29-30-17-6-1-7-18-30)37(31-19-8-2-9-20-31)32-21-10-3-11-22-32/h1-28,35,37-38H,29H2/b41-39-
InChIKeyYSAMMVSCCKTVOL-YTCTUYNNSA-N
MW543.71 g/mol
LogP8.97
Rot. Bonds10

About 1-[5-(C-benzhydryl-N-benzylcarbonimidoyl)cyclopenta-1,3-dien-1-yl]-2,2-diphenylethanone

1-[5-(C-benzhydryl-N-benzylcarbonimidoyl)cyclopenta-1,3-dien-1-yl]-2,2-diphenylethanone (PubChem CID 90690798) has the molecular formula C40H33NO and a molecular weight of 543.71 g/mol. Its IUPAC name is 1-[5-(C-benzhydryl-N-benzylcarbonimidoyl)cyclopenta-1,3-dien-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[5-(C-benzhydryl-N-benzylcarbonimidoyl)cyclopenta-1,3-dien-1-yl]-2,2-diphenylethanone
PubChem CID90690798
Molecular FormulaC40H33NO
Molecular Weight543.71 g/mol
Exact Mass543.26
IUPAC Name1-[5-(C-benzhydryl-N-benzylcarbonimidoyl)cyclopenta-1,3-dien-1-yl]-2,2-diphenylethanone
SMILESO=C(C1=CC=CC1/C(=N/Cc1ccccc1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H33NO/c42-40(38(33-23-12-4-13-24-33)34-25-14-5-15-26-34)36-28-16-27-35(36)39(41-29-30-17-6-1-7-18-30)37(31-19-8-2-9-20-31)32-21-10-3-11-22-32/h1-28,35,37-38H,29H2/b41-39-
InChIKeyYSAMMVSCCKTVOL-YTCTUYNNSA-N
XLogP8.97
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.71
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[5-(C-benzhydryl-N-benzylcarbonimidoyl)cyclopenta-1,3-dien-1-yl]-2,2-diphenylethanone 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 1-[5-(C-benzhydryl-N-benzylcarbonimidoyl)cyclopenta-1,3-dien-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[5-(C-benzhydryl-N-benzylcarbonimidoyl)cyclopenta-1,3-dien-1-yl]-2,2-diphenylethanone (CID 90690798) is 1-[5-(C-benzhydryl-N-benzylcarbonimidoyl)cyclopenta-1,3-dien-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[5-(C-benzhydryl-N-benzylcarbonimidoyl)cyclopenta-1,3-dien-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[5-(C-benzhydryl-N-benzylcarbonimidoyl)cyclopenta-1,3-dien-1-yl]-2,2-diphenylethanone is O=C(C1=CC=CC1/C(=N/Cc1ccccc1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[5-(C-benzhydryl-N-benzylcarbonimidoyl)cyclopenta-1,3-dien-1-yl]-2,2-diphenylethanone?
The InChIKey is YSAMMVSCCKTVOL-YTCTUYNNSA-N. The full InChI is InChI=1S/C40H33NO/c42-40(38(33-23-12-4-13-24-33)34-25-14-5-15-26-34)36-28-16-27-35(36)39(41-29-30-17-6-1-7-18-30)37(31-19-8-2-9-20-31)32-21-10-3-11-22-32/h1-28,35,37-38H,29H2/b41-39-.
What are the key properties of 1-[5-(C-benzhydryl-N-benzylcarbonimidoyl)cyclopenta-1,3-dien-1-yl]-2,2-diphenylethanone?
1-[5-(C-benzhydryl-N-benzylcarbonimidoyl)cyclopenta-1,3-dien-1-yl]-2,2-diphenylethanone has a molecular weight of 543.71 g/mol, XLogP of 8.97, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(C-benzhydryl-N-benzylcarbonimidoyl)cyclopenta-1,3-dien-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 90690798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).