1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane

C39H35P3 — CID 140514716

IUPAC1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane
SMILESc1ccc(P(CCC(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H35P3/c1-7-19-33(20-8-1)40(34-21-9-2-10-22-34)32-31-39(41(35-23-11-3-12-24-35)36-25-13-4-14-26-36)42(37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30,39H,31-32H2
InChIKeyUKGHAWCYICLSGN-UHFFFAOYSA-N
MW596.63 g/mol
LogP8.10
Rot. Bonds11

About 1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane

1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane (PubChem CID 140514716) has the molecular formula C39H35P3 and a molecular weight of 596.63 g/mol. Its IUPAC name is 1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane.

Molecular Properties

Compound Name1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane
PubChem CID140514716
Molecular FormulaC39H35P3
Molecular Weight596.63 g/mol
Exact Mass596.20
IUPAC Name1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane
SMILESc1ccc(P(CCC(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H35P3/c1-7-19-33(20-8-1)40(34-21-9-2-10-22-34)32-31-39(41(35-23-11-3-12-24-35)36-25-13-4-14-26-36)42(37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30,39H,31-32H2
InChIKeyUKGHAWCYICLSGN-UHFFFAOYSA-N
XLogP8.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.63
LogP ≤ 58.10
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 1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane?
The IUPAC name of 1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane (CID 140514716) is 1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane.
What is the SMILES notation for 1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane?
The canonical SMILES for 1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane is c1ccc(P(CCC(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane?
The InChIKey is UKGHAWCYICLSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H35P3/c1-7-19-33(20-8-1)40(34-21-9-2-10-22-34)32-31-39(41(35-23-11-3-12-24-35)36-25-13-4-14-26-36)42(37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30,39H,31-32H2.
What are the key properties of 1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane?
1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane has a molecular weight of 596.63 g/mol, XLogP of 8.10, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane is sourced from PubChem (CID 140514716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).