[(E)-1,2-bis(4-methylphenyl)ethenyl]-diphenylphosphane

C28H25P — CID 102403237

IUPAC[(E)-1,2-bis(4-methylphenyl)ethenyl]-diphenylphosphane
SMILESCc1ccc(/C=C(\c2ccc(C)cc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H25P/c1-22-13-17-24(18-14-22)21-28(25-19-15-23(2)16-20-25)29(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-21H,1-2H3/b28-21+
InChIKeyMVMISGMBHOLEHV-SGWCAAJKSA-N
MW392.48 g/mol
LogP6.93
Rot. Bonds5

About [(E)-1,2-bis(4-methylphenyl)ethenyl]-diphenylphosphane

[(E)-1,2-bis(4-methylphenyl)ethenyl]-diphenylphosphane (PubChem CID 102403237) has the molecular formula C28H25P and a molecular weight of 392.48 g/mol. Its IUPAC name is [(E)-1,2-bis(4-methylphenyl)ethenyl]-diphenylphosphane.

Molecular Properties

Compound Name[(E)-1,2-bis(4-methylphenyl)ethenyl]-diphenylphosphane
PubChem CID102403237
Molecular FormulaC28H25P
Molecular Weight392.48 g/mol
Exact Mass392.17
IUPAC Name[(E)-1,2-bis(4-methylphenyl)ethenyl]-diphenylphosphane
SMILESCc1ccc(/C=C(\c2ccc(C)cc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H25P/c1-22-13-17-24(18-14-22)21-28(25-19-15-23(2)16-20-25)29(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-21H,1-2H3/b28-21+
InChIKeyMVMISGMBHOLEHV-SGWCAAJKSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(E)-1,2-bis(4-methylphenyl)ethenyl]-diphenylphosphane 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

[(E)-1,2-diphenylethenyl]-diphenylphosphane
CID 11152728
1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene
CID 58019403
1-[(E)-2-bromo-2-phenylethenyl]-4-methylbenzene
CID 102070400
1-[(Z)-1-bromo-2-phenylethenyl]-4-methylbenzene
CID 15417413
1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene
CID 15417412
1,2-bis(4-methylphenyl)ethenyl-dicyclohexylphosphane
CID 140526826
(E)-2-(4-methylphenyl)-3-phenylprop-2-en-1-ol
CID 71219212
(2E,4E)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 1236722
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
(2E,4Z)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 51661966
(E)-N,N-dibenzyl-1,2-bis(4-methylphenyl)ethenamine
CID 132850322
tetrakis[4-[2-[4-(4-methylphenyl)phenyl]-1-phenylethenyl]phenyl]germane
CID 154407148

Frequently Asked Questions

What is the IUPAC name of [(E)-1,2-bis(4-methylphenyl)ethenyl]-diphenylphosphane?
The IUPAC name of [(E)-1,2-bis(4-methylphenyl)ethenyl]-diphenylphosphane (CID 102403237) is [(E)-1,2-bis(4-methylphenyl)ethenyl]-diphenylphosphane.
What is the SMILES notation for [(E)-1,2-bis(4-methylphenyl)ethenyl]-diphenylphosphane?
The canonical SMILES for [(E)-1,2-bis(4-methylphenyl)ethenyl]-diphenylphosphane is Cc1ccc(/C=C(\c2ccc(C)cc2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(E)-1,2-bis(4-methylphenyl)ethenyl]-diphenylphosphane?
The InChIKey is MVMISGMBHOLEHV-SGWCAAJKSA-N. The full InChI is InChI=1S/C28H25P/c1-22-13-17-24(18-14-22)21-28(25-19-15-23(2)16-20-25)29(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-21H,1-2H3/b28-21+.
What are the key properties of [(E)-1,2-bis(4-methylphenyl)ethenyl]-diphenylphosphane?
[(E)-1,2-bis(4-methylphenyl)ethenyl]-diphenylphosphane has a molecular weight of 392.48 g/mol, XLogP of 6.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,2-bis(4-methylphenyl)ethenyl]-diphenylphosphane is sourced from PubChem (CID 102403237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).