2-methyl-4-[3-[3-methyl-4-(2-methylphenyl)phenyl]cyclohexa-1,5-dien-1-yl]-1-(2-methylphenyl)benzene

C34H32 — CID 144640514

IUPAC2-methyl-4-[3-[3-methyl-4-(2-methylphenyl)phenyl]cyclohexa-1,5-dien-1-yl]-1-(2-methylphenyl)benzene
SMILESCc1ccccc1-c1ccc(C2=CC(c3ccc(-c4ccccc4C)c(C)c3)CC=C2)cc1C
InChIInChI=1S/C34H32/c1-23-10-5-7-14-31(23)33-18-16-29(20-25(33)3)27-12-9-13-28(22-27)30-17-19-34(26(4)21-30)32-15-8-6-11-24(32)2/h5-12,14-22,28H,13H2,1-4H3
InChIKeyHGIBPOZRGHDHMO-UHFFFAOYSA-N
MW440.63 g/mol
LogP9.38
Rot. Bonds4

About 2-methyl-4-[3-[3-methyl-4-(2-methylphenyl)phenyl]cyclohexa-1,5-dien-1-yl]-1-(2-methylphenyl)benzene

2-methyl-4-[3-[3-methyl-4-(2-methylphenyl)phenyl]cyclohexa-1,5-dien-1-yl]-1-(2-methylphenyl)benzene (PubChem CID 144640514) has the molecular formula C34H32 and a molecular weight of 440.63 g/mol. Its IUPAC name is 2-methyl-4-[3-[3-methyl-4-(2-methylphenyl)phenyl]cyclohexa-1,5-dien-1-yl]-1-(2-methylphenyl)benzene.

Molecular Properties

Compound Name2-methyl-4-[3-[3-methyl-4-(2-methylphenyl)phenyl]cyclohexa-1,5-dien-1-yl]-1-(2-methylphenyl)benzene
PubChem CID144640514
Molecular FormulaC34H32
Molecular Weight440.63 g/mol
Exact Mass440.25
IUPAC Name2-methyl-4-[3-[3-methyl-4-(2-methylphenyl)phenyl]cyclohexa-1,5-dien-1-yl]-1-(2-methylphenyl)benzene
SMILESCc1ccccc1-c1ccc(C2=CC(c3ccc(-c4ccccc4C)c(C)c3)CC=C2)cc1C
InChIInChI=1S/C34H32/c1-23-10-5-7-14-31(23)33-18-16-29(20-25(33)3)27-12-9-13-28(22-27)30-17-19-34(26(4)21-30)32-15-8-6-11-24(32)2/h5-12,14-22,28H,13H2,1-4H3
InChIKeyHGIBPOZRGHDHMO-UHFFFAOYSA-N
XLogP9.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-methyl-4-[3-[3-methyl-4-(2-methylphenyl)phenyl]cyclohexa-1,5-dien-1-yl]-1-(2-methylphenyl)benzene 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

(3-phenylcyclohexa-1,5-dien-1-yl)benzene
CID 23170334
7-phenyl-16-[3-(16-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)cyclohexa-1,5-dien-1-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene
CID 143905918
N-phenyl-N-(4-phenylphenyl)-4-[3-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexa-2,4-dien-1-yl]aniline
CID 134426748
9-[4-(3-triphenylen-2-ylcyclohexa-1,5-dien-1-yl)phenyl]carbazole
CID 163741253
2-[3-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163689498
3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 130217889
4,6-diphenyl-2-[3-[3-(3-spiro[fluorene-9,9'-xanthene]-3-ylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]pyrimidine
CID 129263415
1-methyl-4-[3-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]-6-(4-phenylphenyl)-2H-1,3,5-triazine;toluene
CID 145110803
2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(3-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
CID 155203991
4-[4-(4,4-dimethylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140777994
2-[4-[4-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-4,6-bis(4-phenylphenyl)pyrimidine
CID 130380039
1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-[3-methyl-4-(2-methylphenyl)phenyl]cyclohexa-1,5-dien-1-yl]-1-(2-methylphenyl)benzene?
The IUPAC name of 2-methyl-4-[3-[3-methyl-4-(2-methylphenyl)phenyl]cyclohexa-1,5-dien-1-yl]-1-(2-methylphenyl)benzene (CID 144640514) is 2-methyl-4-[3-[3-methyl-4-(2-methylphenyl)phenyl]cyclohexa-1,5-dien-1-yl]-1-(2-methylphenyl)benzene.
What is the SMILES notation for 2-methyl-4-[3-[3-methyl-4-(2-methylphenyl)phenyl]cyclohexa-1,5-dien-1-yl]-1-(2-methylphenyl)benzene?
The canonical SMILES for 2-methyl-4-[3-[3-methyl-4-(2-methylphenyl)phenyl]cyclohexa-1,5-dien-1-yl]-1-(2-methylphenyl)benzene is Cc1ccccc1-c1ccc(C2=CC(c3ccc(-c4ccccc4C)c(C)c3)CC=C2)cc1C.
What is the InChIKey of 2-methyl-4-[3-[3-methyl-4-(2-methylphenyl)phenyl]cyclohexa-1,5-dien-1-yl]-1-(2-methylphenyl)benzene?
The InChIKey is HGIBPOZRGHDHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32/c1-23-10-5-7-14-31(23)33-18-16-29(20-25(33)3)27-12-9-13-28(22-27)30-17-19-34(26(4)21-30)32-15-8-6-11-24(32)2/h5-12,14-22,28H,13H2,1-4H3.
What are the key properties of 2-methyl-4-[3-[3-methyl-4-(2-methylphenyl)phenyl]cyclohexa-1,5-dien-1-yl]-1-(2-methylphenyl)benzene?
2-methyl-4-[3-[3-methyl-4-(2-methylphenyl)phenyl]cyclohexa-1,5-dien-1-yl]-1-(2-methylphenyl)benzene has a molecular weight of 440.63 g/mol, XLogP of 9.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-[3-methyl-4-(2-methylphenyl)phenyl]cyclohexa-1,5-dien-1-yl]-1-(2-methylphenyl)benzene is sourced from PubChem (CID 144640514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).