2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene

C23H22 — CID 12611498

IUPAC2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(/C(=C/c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C23H22/c1-17-14-18(2)23(19(3)15-17)22(21-12-8-5-9-13-21)16-20-10-6-4-7-11-20/h4-16H,1-3H3/b22-16+
InChIKeyAQEXIFVGJAWYRR-CJLVFECKSA-N
MW298.43 g/mol
LogP6.20
Rot. Bonds3

About 2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene

2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene (PubChem CID 12611498) has the molecular formula C23H22 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene
PubChem CID12611498
Molecular FormulaC23H22
Molecular Weight298.43 g/mol
Exact Mass298.17
IUPAC Name2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(/C(=C/c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C23H22/c1-17-14-18(2)23(19(3)15-17)22(21-12-8-5-9-13-21)16-20-10-6-4-7-11-20/h4-16H,1-3H3/b22-16+
InChIKeyAQEXIFVGJAWYRR-CJLVFECKSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene 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

1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene
CID 102283566
1-[(Z)-1,2-diphenylethenyl]-2,4-dimethylbenzene
CID 155936841
N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline
CID 71344437
2,3-bis[(E)-2-[4-[2,2-bis(2,4,6-trimethylphenyl)ethenyl]phenyl]ethenyl]naphthalene
CID 21365156
1,2-diphenylethenylbenzene;2-methylphenol
CID 159908422
CID 173126547
CID 173126547
1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene
CID 121493700
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene
CID 20678111
CID 172843956
CID 172843956
2-[4-(2,2-diphenylethenyl)phenyl]-5,7-dimethyl-1,3-benzoxazole
CID 70556219
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
4-[(E)-1,2-diphenylethenyl]-5-methyl-1-benzofuran
CID 102131163

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene (CID 12611498) is 2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene is Cc1cc(C)c(/C(=C/c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of 2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene?
The InChIKey is AQEXIFVGJAWYRR-CJLVFECKSA-N. The full InChI is InChI=1S/C23H22/c1-17-14-18(2)23(19(3)15-17)22(21-12-8-5-9-13-21)16-20-10-6-4-7-11-20/h4-16H,1-3H3/b22-16+.
What are the key properties of 2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene?
2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene has a molecular weight of 298.43 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 12611498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).