[2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane

C32H52P2 — CID 87309662

IUPAC[2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane
SMILESCCCCCP(CCCCC)c1ccccc1-c1ccccc1P(CCCCC)CCCCC
InChIInChI=1S/C32H52P2/c1-5-9-17-25-33(26-18-10-6-2)31-23-15-13-21-29(31)30-22-14-16-24-32(30)34(27-19-11-7-3)28-20-12-8-4/h13-16,21-24H,5-12,17-20,25-28H2,1-4H3
InChIKeyFICWBDNGSNGXBV-UHFFFAOYSA-N
MW498.72 g/mol
LogP10.33
Rot. Bonds19

About [2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane

[2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane (PubChem CID 87309662) has the molecular formula C32H52P2 and a molecular weight of 498.72 g/mol. Its IUPAC name is [2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane.

Molecular Properties

Compound Name[2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane
PubChem CID87309662
Molecular FormulaC32H52P2
Molecular Weight498.72 g/mol
Exact Mass498.35
IUPAC Name[2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane
SMILESCCCCCP(CCCCC)c1ccccc1-c1ccccc1P(CCCCC)CCCCC
InChIInChI=1S/C32H52P2/c1-5-9-17-25-33(26-18-10-6-2)31-23-15-13-21-29(31)30-22-14-16-24-32(30)34(27-19-11-7-3)28-20-12-8-4/h13-16,21-24H,5-12,17-20,25-28H2,1-4H3
InChIKeyFICWBDNGSNGXBV-UHFFFAOYSA-N
XLogP10.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.72
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dipentyl-(2-phenylphenyl)phosphane
CID 67449535
(2-methylphenyl)-dioctylphosphane
CID 70128590
(2,3-dimethylphenyl)-dipentylphosphane
CID 90112101
dipentyl(phenyl)phosphane
CID 3085487
3-dihexylphosphanyl-N-methylpyridin-2-amine
CID 151750549
1-(2-dibutylphosphanylphenyl)-N-phenylmethanimine
CID 139799850
dibutyl-(1-dibutylphosphanylnaphthalen-2-yl)phosphane
CID 90109429
hexyl-propyl-(2,3,4-trimethylphenyl)phosphane
CID 90109576
bis(2,3-dimethylphenyl)-octylphosphane
CID 161297882
hexadecyl(phenyl)phosphinous acid
CID 22292084
(2-diethylphosphanylphenyl)-diethylphosphane
CID 14874086
2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-methylaniline
CID 87444995

Frequently Asked Questions

What is the IUPAC name of [2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane?
The IUPAC name of [2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane (CID 87309662) is [2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane.
What is the SMILES notation for [2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane?
The canonical SMILES for [2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane is CCCCCP(CCCCC)c1ccccc1-c1ccccc1P(CCCCC)CCCCC.
What is the InChIKey of [2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane?
The InChIKey is FICWBDNGSNGXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52P2/c1-5-9-17-25-33(26-18-10-6-2)31-23-15-13-21-29(31)30-22-14-16-24-32(30)34(27-19-11-7-3)28-20-12-8-4/h13-16,21-24H,5-12,17-20,25-28H2,1-4H3.
What are the key properties of [2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane?
[2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane has a molecular weight of 498.72 g/mol, XLogP of 10.33, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane is sourced from PubChem (CID 87309662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).