1,2-bis(4-methylphenyl)ethenyl-dicyclohexylphosphane

C28H37P — CID 140526826

IUPAC1,2-bis(4-methylphenyl)ethenyl-dicyclohexylphosphane
SMILESCc1ccc(C=C(c2ccc(C)cc2)P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C28H37P/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/h13-21,26-27H,3-12H2,1-2H3
InChIKeyKLSWBNNIWKQMEZ-UHFFFAOYSA-N
MW404.58 g/mol
LogP8.95
Rot. Bonds5

About 1,2-bis(4-methylphenyl)ethenyl-dicyclohexylphosphane

1,2-bis(4-methylphenyl)ethenyl-dicyclohexylphosphane (PubChem CID 140526826) has the molecular formula C28H37P and a molecular weight of 404.58 g/mol. Its IUPAC name is 1,2-bis(4-methylphenyl)ethenyl-dicyclohexylphosphane.

Molecular Properties

Compound Name1,2-bis(4-methylphenyl)ethenyl-dicyclohexylphosphane
PubChem CID140526826
Molecular FormulaC28H37P
Molecular Weight404.58 g/mol
Exact Mass404.26
IUPAC Name1,2-bis(4-methylphenyl)ethenyl-dicyclohexylphosphane
SMILESCc1ccc(C=C(c2ccc(C)cc2)P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C28H37P/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/h13-21,26-27H,3-12H2,1-2H3
InChIKeyKLSWBNNIWKQMEZ-UHFFFAOYSA-N
XLogP8.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.58
LogP ≤ 58.95
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'}

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Related Compounds

1-(2,2-dicyclohexylethenyl)-4-methylbenzene
CID 175049807
[(E)-1,2-bis(4-methylphenyl)ethenyl]-diphenylphosphane
CID 102403237
4-[4-[4-[2-cyclohexyl-2-(4-methylphenyl)ethenyl]-N-[4-[2-cyclohexyl-2-(4-methylphenyl)ethenyl]phenyl]anilino]-3-methylnaphthalen-1-yl]-N,N-bis[4-[2-cyclohexyl-2-(4-methylphenyl)ethenyl]phenyl]-2-methylnaphthalen-1-amine
CID 74059322
2-(4-methylphenyl)-1-phosphanylethenol
CID 142187482
(Z)-2-(4-methylbenzoyl)-3-(4-methylphenyl)prop-2-enenitrile
CID 44725770
(E)-2-(4-methylbenzoyl)-3-(4-methylphenyl)prop-2-enenitrile
CID 12735895
[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]boronic acid
CID 141350757
trimethyl-[2-(4-methylphenyl)-1-trimethylsilyloxyethenoxy]silane
CID 101377946
N-[3-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 1100500
2-[(E)-1,2-bis(4-methylphenyl)ethenyl]-6-methylpyridine
CID 163217179
N-(cyclohexylmethyl)-1-(4-methylphenyl)methanimine
CID 102444433
N-cyclooctyl-4-methylbenzamide
CID 3995245

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-methylphenyl)ethenyl-dicyclohexylphosphane?
The IUPAC name of 1,2-bis(4-methylphenyl)ethenyl-dicyclohexylphosphane (CID 140526826) is 1,2-bis(4-methylphenyl)ethenyl-dicyclohexylphosphane.
What is the SMILES notation for 1,2-bis(4-methylphenyl)ethenyl-dicyclohexylphosphane?
The canonical SMILES for 1,2-bis(4-methylphenyl)ethenyl-dicyclohexylphosphane is Cc1ccc(C=C(c2ccc(C)cc2)P(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of 1,2-bis(4-methylphenyl)ethenyl-dicyclohexylphosphane?
The InChIKey is KLSWBNNIWKQMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37P/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/h13-21,26-27H,3-12H2,1-2H3.
What are the key properties of 1,2-bis(4-methylphenyl)ethenyl-dicyclohexylphosphane?
1,2-bis(4-methylphenyl)ethenyl-dicyclohexylphosphane has a molecular weight of 404.58 g/mol, XLogP of 8.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-methylphenyl)ethenyl-dicyclohexylphosphane is sourced from PubChem (CID 140526826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).