1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane

C29H30P2 — CID 20520952

IUPAC1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane
SMILESCCCC(CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30P2/c1-2-15-29(31(27-20-11-5-12-21-27)28-22-13-6-14-23-28)24-30(25-16-7-3-8-17-25)26-18-9-4-10-19-26/h3-14,16-23,29H,2,15,24H2,1H3
InChIKeyYCALRZHWXDHEAJ-UHFFFAOYSA-N
MW440.51 g/mol
LogP6.42
Rot. Bonds9

About 1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane

1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane (PubChem CID 20520952) has the molecular formula C29H30P2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane.

Molecular Properties

Compound Name1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane
PubChem CID20520952
Molecular FormulaC29H30P2
Molecular Weight440.51 g/mol
Exact Mass440.18
IUPAC Name1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane
SMILESCCCC(CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30P2/c1-2-15-29(31(27-20-11-5-12-21-27)28-22-13-6-14-23-28)24-30(25-16-7-3-8-17-25)26-18-9-4-10-19-26/h3-14,16-23,29H,2,15,24H2,1H3
InChIKeyYCALRZHWXDHEAJ-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 56.42
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-diphenylphosphanylicosan-2-yl(diphenyl)phosphane
CID 20520959
(2R)-2,3-bis(diphenylphosphanyl)propan-1-ol
CID 12914091
ethyl (3S)-3,4-bis(diphenylphosphanyl)butanoate
CID 102040167
[(2R)-1-diphenylphosphanylpropan-2-yl]-diphenylphosphane
CID 2724539
1-methoxybutyl(diphenyl)phosphane
CID 126564219
[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane
CID 11967243
diphenyl(1-phenylheptan-2-yl)phosphane
CID 139486900
(1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane
CID 87259750
ethyl(diphenyl)phosphane;methyl(diphenyl)phosphane
CID 158097838
1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane
CID 140514716
diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane
CID 10898452
3-diphenylphosphanylpentanenitrile
CID 10956491

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane?
The IUPAC name of 1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane (CID 20520952) is 1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane.
What is the SMILES notation for 1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane?
The canonical SMILES for 1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane is CCCC(CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane?
The InChIKey is YCALRZHWXDHEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30P2/c1-2-15-29(31(27-20-11-5-12-21-27)28-22-13-6-14-23-28)24-30(25-16-7-3-8-17-25)26-18-9-4-10-19-26/h3-14,16-23,29H,2,15,24H2,1H3.
What are the key properties of 1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane?
1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane has a molecular weight of 440.51 g/mol, XLogP of 6.42, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane is sourced from PubChem (CID 20520952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).