5-diphenylphosphanylpentyl(diphenyl)phosphane

C29H30P2 — CID 2733414

IUPAC5-diphenylphosphanylpentyl(diphenyl)phosphane
SMILESc1ccc(P(CCCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H30P2/c1-6-16-26(17-7-1)30(27-18-8-2-9-19-27)24-14-5-15-25-31(28-20-10-3-11-21-28)29-22-12-4-13-23-29/h1-4,6-13,16-23H,5,14-15,24-25H2
InChIKeyMZFPAWGWFDGCHP-UHFFFAOYSA-N
MW440.51 g/mol
LogP6.42
Rot. Bonds10

About 5-diphenylphosphanylpentyl(diphenyl)phosphane

5-diphenylphosphanylpentyl(diphenyl)phosphane (PubChem CID 2733414) has the molecular formula C29H30P2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 5-diphenylphosphanylpentyl(diphenyl)phosphane.

Molecular Properties

Compound Name5-diphenylphosphanylpentyl(diphenyl)phosphane
PubChem CID2733414
Molecular FormulaC29H30P2
Molecular Weight440.51 g/mol
Exact Mass440.18
IUPAC Name5-diphenylphosphanylpentyl(diphenyl)phosphane
SMILESc1ccc(P(CCCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H30P2/c1-6-16-26(17-7-1)30(27-18-8-2-9-19-27)24-14-5-15-25-31(28-20-10-3-11-21-28)29-22-12-4-13-23-29/h1-4,6-13,16-23H,5,14-15,24-25H2
InChIKeyMZFPAWGWFDGCHP-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-diphenylphosphanylpentyl(diphenyl)phosphane?
The IUPAC name of 5-diphenylphosphanylpentyl(diphenyl)phosphane (CID 2733414) is 5-diphenylphosphanylpentyl(diphenyl)phosphane.
What is the SMILES notation for 5-diphenylphosphanylpentyl(diphenyl)phosphane?
The canonical SMILES for 5-diphenylphosphanylpentyl(diphenyl)phosphane is c1ccc(P(CCCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5-diphenylphosphanylpentyl(diphenyl)phosphane?
The InChIKey is MZFPAWGWFDGCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30P2/c1-6-16-26(17-7-1)30(27-18-8-2-9-19-27)24-14-5-15-25-31(28-20-10-3-11-21-28)29-22-12-4-13-23-29/h1-4,6-13,16-23H,5,14-15,24-25H2.
What are the key properties of 5-diphenylphosphanylpentyl(diphenyl)phosphane?
5-diphenylphosphanylpentyl(diphenyl)phosphane has a molecular weight of 440.51 g/mol, XLogP of 6.42, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diphenylphosphanylpentyl(diphenyl)phosphane is sourced from PubChem (CID 2733414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).