3,3-diphenylpropyl-[4-(3,3-diphenylpropylphosphanyl)but-2-enyl]phosphane

C34H38P2 — CID 173230104

IUPAC3,3-diphenylpropyl-[4-(3,3-diphenylpropylphosphanyl)but-2-enyl]phosphane
SMILESC(=CCPCCC(c1ccccc1)c1ccccc1)CPCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H38P2/c1-5-15-29(16-6-1)33(30-17-7-2-8-18-30)23-27-35-25-13-14-26-36-28-24-34(31-19-9-3-10-20-31)32-21-11-4-12-22-32/h1-22,33-36H,23-28H2
InChIKeyYMIUHYXJWZFSDK-UHFFFAOYSA-N
MW508.63 g/mol
LogP9.34
Rot. Bonds14

About 3,3-diphenylpropyl-[4-(3,3-diphenylpropylphosphanyl)but-2-enyl]phosphane

3,3-diphenylpropyl-[4-(3,3-diphenylpropylphosphanyl)but-2-enyl]phosphane (PubChem CID 173230104) has the molecular formula C34H38P2 and a molecular weight of 508.63 g/mol. Its IUPAC name is 3,3-diphenylpropyl-[4-(3,3-diphenylpropylphosphanyl)but-2-enyl]phosphane.

Molecular Properties

Compound Name3,3-diphenylpropyl-[4-(3,3-diphenylpropylphosphanyl)but-2-enyl]phosphane
PubChem CID173230104
Molecular FormulaC34H38P2
Molecular Weight508.63 g/mol
Exact Mass508.24
IUPAC Name3,3-diphenylpropyl-[4-(3,3-diphenylpropylphosphanyl)but-2-enyl]phosphane
SMILESC(=CCPCCC(c1ccccc1)c1ccccc1)CPCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H38P2/c1-5-15-29(16-6-1)33(30-17-7-2-8-18-30)23-27-35-25-13-14-26-36-28-24-34(31-19-9-3-10-20-31)32-21-11-4-12-22-32/h1-22,33-36H,23-28H2
InChIKeyYMIUHYXJWZFSDK-UHFFFAOYSA-N
XLogP9.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.63
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[4-(3,3-diphenylpropylphosphanylmethyl)phenyl]methanethiol
CID 86618771
[(Z)-1-phenyloct-4-enyl]benzene
CID 143321928
trichloro(3,3-diphenylpropyl)silane
CID 19360814
6,6-diphenylhex-2-enal
CID 175012355
[3-(3,3-diphenylpropylsulfanyl)-1-phenylpropyl]benzene
CID 57070199
chloro(4,4-diphenylbutyl)tin
CID 70495982
1,4,4-triphenylbutan-1-ol
CID 141326006
3,3-diphenylpropan-1-amine;hydron;chloride
CID 74764483
bromo(3,3-diphenylpropyl)silane
CID 123512545
4,4-diphenylbut-1-enylphosphane
CID 154147270
N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
(2-cyclopentyl-1-phenylethyl)benzene
CID 138978826

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenylpropyl-[4-(3,3-diphenylpropylphosphanyl)but-2-enyl]phosphane?
The IUPAC name of 3,3-diphenylpropyl-[4-(3,3-diphenylpropylphosphanyl)but-2-enyl]phosphane (CID 173230104) is 3,3-diphenylpropyl-[4-(3,3-diphenylpropylphosphanyl)but-2-enyl]phosphane.
What is the SMILES notation for 3,3-diphenylpropyl-[4-(3,3-diphenylpropylphosphanyl)but-2-enyl]phosphane?
The canonical SMILES for 3,3-diphenylpropyl-[4-(3,3-diphenylpropylphosphanyl)but-2-enyl]phosphane is C(=CCPCCC(c1ccccc1)c1ccccc1)CPCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenylpropyl-[4-(3,3-diphenylpropylphosphanyl)but-2-enyl]phosphane?
The InChIKey is YMIUHYXJWZFSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38P2/c1-5-15-29(16-6-1)33(30-17-7-2-8-18-30)23-27-35-25-13-14-26-36-28-24-34(31-19-9-3-10-20-31)32-21-11-4-12-22-32/h1-22,33-36H,23-28H2.
What are the key properties of 3,3-diphenylpropyl-[4-(3,3-diphenylpropylphosphanyl)but-2-enyl]phosphane?
3,3-diphenylpropyl-[4-(3,3-diphenylpropylphosphanyl)but-2-enyl]phosphane has a molecular weight of 508.63 g/mol, XLogP of 9.34, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenylpropyl-[4-(3,3-diphenylpropylphosphanyl)but-2-enyl]phosphane is sourced from PubChem (CID 173230104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).