bis(diphenylphosphanyl)methyl-diphenylphosphane

C37H31P3 — CID 3255345

IUPACbis(diphenylphosphanyl)methyl-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)C(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H31P3/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32)37(39(33-23-11-3-12-24-33)34-25-13-4-14-26-34)40(35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,37H
InChIKeyKYDFRUPZLLIHQE-UHFFFAOYSA-N
MW568.58 g/mol
LogP7.67
Rot. Bonds9

About bis(diphenylphosphanyl)methyl-diphenylphosphane

bis(diphenylphosphanyl)methyl-diphenylphosphane (PubChem CID 3255345) has the molecular formula C37H31P3 and a molecular weight of 568.58 g/mol. Its IUPAC name is bis(diphenylphosphanyl)methyl-diphenylphosphane.

Molecular Properties

Compound Namebis(diphenylphosphanyl)methyl-diphenylphosphane
PubChem CID3255345
Molecular FormulaC37H31P3
Molecular Weight568.58 g/mol
Exact Mass568.16
IUPAC Namebis(diphenylphosphanyl)methyl-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)C(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H31P3/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32)37(39(33-23-11-3-12-24-33)34-25-13-4-14-26-34)40(35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,37H
InChIKeyKYDFRUPZLLIHQE-UHFFFAOYSA-N
XLogP7.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.58
LogP ≤ 57.67
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 bis(diphenylphosphanyl)methyl-diphenylphosphane?
The IUPAC name of bis(diphenylphosphanyl)methyl-diphenylphosphane (CID 3255345) is bis(diphenylphosphanyl)methyl-diphenylphosphane.
What is the SMILES notation for bis(diphenylphosphanyl)methyl-diphenylphosphane?
The canonical SMILES for bis(diphenylphosphanyl)methyl-diphenylphosphane is c1ccc(P(c2ccccc2)C(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(diphenylphosphanyl)methyl-diphenylphosphane?
The InChIKey is KYDFRUPZLLIHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31P3/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32)37(39(33-23-11-3-12-24-33)34-25-13-4-14-26-34)40(35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,37H.
What are the key properties of bis(diphenylphosphanyl)methyl-diphenylphosphane?
bis(diphenylphosphanyl)methyl-diphenylphosphane has a molecular weight of 568.58 g/mol, XLogP of 7.67, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diphenylphosphanyl)methyl-diphenylphosphane is sourced from PubChem (CID 3255345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).