1-diphenylphosphanylhexan-3-yl(diphenyl)phosphane

C30H32P2 — CID 118308498

IUPAC1-diphenylphosphanylhexan-3-yl(diphenyl)phosphane
SMILESCCCC(CCP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32P2/c1-2-15-28(32(29-20-11-5-12-21-29)30-22-13-6-14-23-30)24-25-31(26-16-7-3-8-17-26)27-18-9-4-10-19-27/h3-14,16-23,28H,2,15,24-25H2,1H3
InChIKeyPQNIPWREEYCPJQ-UHFFFAOYSA-N
MW454.53 g/mol
LogP6.81
Rot. Bonds10

About 1-diphenylphosphanylhexan-3-yl(diphenyl)phosphane

1-diphenylphosphanylhexan-3-yl(diphenyl)phosphane (PubChem CID 118308498) has the molecular formula C30H32P2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 1-diphenylphosphanylhexan-3-yl(diphenyl)phosphane.

Molecular Properties

Compound Name1-diphenylphosphanylhexan-3-yl(diphenyl)phosphane
PubChem CID118308498
Molecular FormulaC30H32P2
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name1-diphenylphosphanylhexan-3-yl(diphenyl)phosphane
SMILESCCCC(CCP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32P2/c1-2-15-28(32(29-20-11-5-12-21-29)30-22-13-6-14-23-30)24-25-31(26-16-7-3-8-17-26)27-18-9-4-10-19-27/h3-14,16-23,28H,2,15,24-25H2,1H3
InChIKeyPQNIPWREEYCPJQ-UHFFFAOYSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphanylhexan-3-yl(diphenyl)phosphane?
The IUPAC name of 1-diphenylphosphanylhexan-3-yl(diphenyl)phosphane (CID 118308498) is 1-diphenylphosphanylhexan-3-yl(diphenyl)phosphane.
What is the SMILES notation for 1-diphenylphosphanylhexan-3-yl(diphenyl)phosphane?
The canonical SMILES for 1-diphenylphosphanylhexan-3-yl(diphenyl)phosphane is CCCC(CCP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphanylhexan-3-yl(diphenyl)phosphane?
The InChIKey is PQNIPWREEYCPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32P2/c1-2-15-28(32(29-20-11-5-12-21-29)30-22-13-6-14-23-30)24-25-31(26-16-7-3-8-17-26)27-18-9-4-10-19-27/h3-14,16-23,28H,2,15,24-25H2,1H3.
What are the key properties of 1-diphenylphosphanylhexan-3-yl(diphenyl)phosphane?
1-diphenylphosphanylhexan-3-yl(diphenyl)phosphane has a molecular weight of 454.53 g/mol, XLogP of 6.81, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphanylhexan-3-yl(diphenyl)phosphane is sourced from PubChem (CID 118308498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).