(1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane

C33H38P2 — CID 87259750

IUPAC(1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane
SMILESCCCC(C)(CCC)C(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H38P2/c1-4-26-33(3,27-5-2)32(34(28-18-10-6-11-19-28)29-20-12-7-13-21-29)35(30-22-14-8-15-23-30)31-24-16-9-17-25-31/h6-25,32H,4-5,26-27H2,1-3H3
InChIKeyZJJVXZADIAQVKW-UHFFFAOYSA-N
MW496.62 g/mol
LogP8.18
Rot. Bonds11

About (1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane

(1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane (PubChem CID 87259750) has the molecular formula C33H38P2 and a molecular weight of 496.62 g/mol. Its IUPAC name is (1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane.

Molecular Properties

Compound Name(1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane
PubChem CID87259750
Molecular FormulaC33H38P2
Molecular Weight496.62 g/mol
Exact Mass496.24
IUPAC Name(1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane
SMILESCCCC(C)(CCC)C(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H38P2/c1-4-26-33(3,27-5-2)32(34(28-18-10-6-11-19-28)29-20-12-7-13-21-29)35(30-22-14-8-15-23-30)31-24-16-9-17-25-31/h6-25,32H,4-5,26-27H2,1-3H3
InChIKeyZJJVXZADIAQVKW-UHFFFAOYSA-N
XLogP8.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.62
LogP ≤ 58.18
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

2,2-dimethylhexyl(diphenyl)phosphane
CID 143507399
1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane
CID 20520952
(1-chloro-1-diphenylphosphanylbutyl)-diphenylphosphane
CID 87672181
2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane
CID 143507398
2-diphenylphosphanyl-2-methylpentanoic acid
CID 174669720
[2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane
CID 59318614
butane;triphenylphosphane
CID 161447439
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
1-methoxybutyl(diphenyl)phosphane
CID 126564219
[(2R)-1-diphenylphosphanylpropan-2-yl]-diphenylphosphane
CID 2724539
[3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane
CID 22672805
bis(2-methylpentan-2-yl)-(3-phenylphenyl)phosphane
CID 57461581

Frequently Asked Questions

What is the IUPAC name of (1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane?
The IUPAC name of (1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane (CID 87259750) is (1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane.
What is the SMILES notation for (1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane?
The canonical SMILES for (1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane is CCCC(C)(CCC)C(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane?
The InChIKey is ZJJVXZADIAQVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38P2/c1-4-26-33(3,27-5-2)32(34(28-18-10-6-11-19-28)29-20-12-7-13-21-29)35(30-22-14-8-15-23-30)31-24-16-9-17-25-31/h6-25,32H,4-5,26-27H2,1-3H3.
What are the key properties of (1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane?
(1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane has a molecular weight of 496.62 g/mol, XLogP of 8.18, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane is sourced from PubChem (CID 87259750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).