ditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane

C23H31P — CID 12010825

IUPACditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane
SMILESCC(=C(c1ccccc1)c1ccccc1)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H31P/c1-18(24(22(2,3)4)23(5,6)7)21(19-14-10-8-11-15-19)20-16-12-9-13-17-20/h8-17H,1-7H3
InChIKeyCYGZMOQFIMJEIT-UHFFFAOYSA-N
MW338.48 g/mol
LogP7.54
Rot. Bonds3

About ditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane

ditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane (PubChem CID 12010825) has the molecular formula C23H31P and a molecular weight of 338.48 g/mol. Its IUPAC name is ditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane.

Molecular Properties

Compound Nameditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane
PubChem CID12010825
Molecular FormulaC23H31P
Molecular Weight338.48 g/mol
Exact Mass338.22
IUPAC Nameditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane
SMILESCC(=C(c1ccccc1)c1ccccc1)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H31P/c1-18(24(22(2,3)4)23(5,6)7)21(19-14-10-8-11-15-19)20-16-12-9-13-17-20/h8-17H,1-7H3
InChIKeyCYGZMOQFIMJEIT-UHFFFAOYSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.48
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ditert-butylphosphanyl-N-methyl-1-phenylmethanimine
CID 159340779
(3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene
CID 102368693
CID 67882804
CID 67882804
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
dilithium;hydride;1,2,2-triphenylethenylbenzene
CID 173364079
1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene
CID 170669630
2-benzhydrylidenebutylazanium
CID 86308121
ditert-butyl(1-phenylprop-1-en-2-yl)phosphane
CID 140620525
1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone
CID 10669604
tert-butyl benzoate
CID 135038599
(2,3-dimethyl-1-phenylbut-1-enyl)benzene
CID 15438795
4,4-dimethyl-2-phenylpent-2-en-3-ol
CID 71336376

Frequently Asked Questions

What is the IUPAC name of ditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane?
The IUPAC name of ditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane (CID 12010825) is ditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane.
What is the SMILES notation for ditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane?
The canonical SMILES for ditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane is CC(=C(c1ccccc1)c1ccccc1)P(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane?
The InChIKey is CYGZMOQFIMJEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31P/c1-18(24(22(2,3)4)23(5,6)7)21(19-14-10-8-11-15-19)20-16-12-9-13-17-20/h8-17H,1-7H3.
What are the key properties of ditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane?
ditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane has a molecular weight of 338.48 g/mol, XLogP of 7.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane is sourced from PubChem (CID 12010825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).