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

C22H20 — CID 102283566

IUPAC1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(/C(=C/c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H20/c1-17-13-18(2)15-21(14-17)22(20-11-7-4-8-12-20)16-19-9-5-3-6-10-19/h3-16H,1-2H3/b22-16+
InChIKeySFTDADUZXAXAMG-CJLVFECKSA-N
MW284.40 g/mol
LogP5.89
Rot. Bonds3

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

1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene (PubChem CID 102283566) has the molecular formula C22H20 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene
PubChem CID102283566
Molecular FormulaC22H20
Molecular Weight284.40 g/mol
Exact Mass284.16
IUPAC Name1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(/C(=C/c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H20/c1-17-13-18(2)15-21(14-17)22(20-11-7-4-8-12-20)16-19-9-5-3-6-10-19/h3-16H,1-2H3/b22-16+
InChIKeySFTDADUZXAXAMG-CJLVFECKSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene
CID 12611498
CID 173126547
CID 173126547
1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene
CID 15520037
CID 172843956
CID 172843956
1,2-diphenylethenylbenzene;2-methylphenol
CID 159908422
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
1-[(Z)-1,2-diphenylethenyl]-2,4-dimethylbenzene
CID 155936841
N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline
CID 71344437
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene
CID 121493700
1-[3-[(E)-1,2-diphenylethenyl]phenyl]ethanone
CID 121493701
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene
CID 20678111

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene (CID 102283566) is 1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene is Cc1cc(C)cc(/C(=C/c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene?
The InChIKey is SFTDADUZXAXAMG-CJLVFECKSA-N. The full InChI is InChI=1S/C22H20/c1-17-13-18(2)15-21(14-17)22(20-11-7-4-8-12-20)16-19-9-5-3-6-10-19/h3-16H,1-2H3/b22-16+.
What are the key properties of 1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene?
1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene has a molecular weight of 284.40 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene is sourced from PubChem (CID 102283566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).