3-N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-dicarboxamide

C33H28N2O2 — CID 123458711

IUPAC3-N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-dicarboxamide
SMILESCC1C=CC(c2ccc(NC(=O)c3cccc(C(=O)Nc4ccc(-c5ccccc5)cc4)c3)cc2)=CC1
InChIInChI=1S/C33H28N2O2/c1-23-10-12-25(13-11-23)27-16-20-31(21-17-27)35-33(37)29-9-5-8-28(22-29)32(36)34-30-18-14-26(15-19-30)24-6-3-2-4-7-24/h2-10,12-23H,11H2,1H3,(H,34,36)(H,35,37)
InChIKeyYIKBCNFQYZNRDB-UHFFFAOYSA-N
MW484.60 g/mol
LogP7.84
Rot. Bonds6

About 3-N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-dicarboxamide

3-N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-dicarboxamide (PubChem CID 123458711) has the molecular formula C33H28N2O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 3-N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-dicarboxamide
PubChem CID123458711
Molecular FormulaC33H28N2O2
Molecular Weight484.60 g/mol
Exact Mass484.22
IUPAC Name3-N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-dicarboxamide
SMILESCC1C=CC(c2ccc(NC(=O)c3cccc(C(=O)Nc4ccc(-c5ccccc5)cc4)c3)cc2)=CC1
InChIInChI=1S/C33H28N2O2/c1-23-10-12-25(13-11-23)27-16-20-31(21-17-27)35-33(37)29-9-5-8-28(22-29)32(36)34-30-18-14-26(15-19-30)24-6-3-2-4-7-24/h2-10,12-23H,11H2,1H3,(H,34,36)(H,35,37)
InChIKeyYIKBCNFQYZNRDB-UHFFFAOYSA-N
XLogP7.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-(4-acetamidophenyl)-3-phenylbenzamide
CID 117092873
3-amino-N-(4-phenylphenyl)benzamide
CID 757806
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate
CID 46580788
3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid
CID 143217956
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
N-(4-cyclopropylphenyl)-4-phenylbenzamide
CID 123874228
N-hydroxy-3-[(4-phenylbenzoyl)amino]benzamide
CID 142750431
1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide
CID 126639013
N-[4-(3-nitrophenyl)phenyl]benzamide
CID 173440643

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-dicarboxamide (CID 123458711) is 3-N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-dicarboxamide is CC1C=CC(c2ccc(NC(=O)c3cccc(C(=O)Nc4ccc(-c5ccccc5)cc4)c3)cc2)=CC1.
What is the InChIKey of 3-N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is YIKBCNFQYZNRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N2O2/c1-23-10-12-25(13-11-23)27-16-20-31(21-17-27)35-33(37)29-9-5-8-28(22-29)32(36)34-30-18-14-26(15-19-30)24-6-3-2-4-7-24/h2-10,12-23H,11H2,1H3,(H,34,36)(H,35,37).
What are the key properties of 3-N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-dicarboxamide?
3-N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 484.60 g/mol, XLogP of 7.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 123458711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).