2,2-diphenylethenylidene-(2,4,6-tritert-butylphenyl)phosphane

C32H39P — CID 2784570

IUPAC2,2-diphenylethenylidene-(2,4,6-tritert-butylphenyl)phosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(P=C=C(c2ccccc2)c2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C32H39P/c1-30(2,3)25-20-27(31(4,5)6)29(28(21-25)32(7,8)9)33-22-26(23-16-12-10-13-17-23)24-18-14-11-15-19-24/h10-21H,1-9H3
InChIKeySLIBMNOHYCVBSC-UHFFFAOYSA-N
MW454.64 g/mol
LogP8.68
Rot. Bonds3

About 2,2-diphenylethenylidene-(2,4,6-tritert-butylphenyl)phosphane

2,2-diphenylethenylidene-(2,4,6-tritert-butylphenyl)phosphane (PubChem CID 2784570) has the molecular formula C32H39P and a molecular weight of 454.64 g/mol. Its IUPAC name is 2,2-diphenylethenylidene-(2,4,6-tritert-butylphenyl)phosphane.

Molecular Properties

Compound Name2,2-diphenylethenylidene-(2,4,6-tritert-butylphenyl)phosphane
PubChem CID2784570
Molecular FormulaC32H39P
Molecular Weight454.64 g/mol
Exact Mass454.28
IUPAC Name2,2-diphenylethenylidene-(2,4,6-tritert-butylphenyl)phosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(P=C=C(c2ccccc2)c2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C32H39P/c1-30(2,3)25-20-27(31(4,5)6)29(28(21-25)32(7,8)9)33-22-26(23-16-12-10-13-17-23)24-18-14-11-15-19-24/h10-21H,1-9H3
InChIKeySLIBMNOHYCVBSC-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.64
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenylethenylidene-(2,4,6-tritert-butylphenyl)phosphane?
The IUPAC name of 2,2-diphenylethenylidene-(2,4,6-tritert-butylphenyl)phosphane (CID 2784570) is 2,2-diphenylethenylidene-(2,4,6-tritert-butylphenyl)phosphane.
What is the SMILES notation for 2,2-diphenylethenylidene-(2,4,6-tritert-butylphenyl)phosphane?
The canonical SMILES for 2,2-diphenylethenylidene-(2,4,6-tritert-butylphenyl)phosphane is CC(C)(C)c1cc(C(C)(C)C)c(P=C=C(c2ccccc2)c2ccccc2)c(C(C)(C)C)c1.
What is the InChIKey of 2,2-diphenylethenylidene-(2,4,6-tritert-butylphenyl)phosphane?
The InChIKey is SLIBMNOHYCVBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39P/c1-30(2,3)25-20-27(31(4,5)6)29(28(21-25)32(7,8)9)33-22-26(23-16-12-10-13-17-23)24-18-14-11-15-19-24/h10-21H,1-9H3.
What are the key properties of 2,2-diphenylethenylidene-(2,4,6-tritert-butylphenyl)phosphane?
2,2-diphenylethenylidene-(2,4,6-tritert-butylphenyl)phosphane has a molecular weight of 454.64 g/mol, XLogP of 8.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenylethenylidene-(2,4,6-tritert-butylphenyl)phosphane is sourced from PubChem (CID 2784570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).