(3-diphenylphosphanylphenyl)-diphenylphosphane

C30H24P2 — CID 635008

IUPAC(3-diphenylphosphanylphenyl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cccc(P(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C30H24P2/c1-5-14-25(15-6-1)31(26-16-7-2-8-17-26)29-22-13-23-30(24-29)32(27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-24H
InChIKeyFPTBDONGKDQGOT-UHFFFAOYSA-N
MW446.47 g/mol
LogP5.20
Rot. Bonds6

About (3-diphenylphosphanylphenyl)-diphenylphosphane

(3-diphenylphosphanylphenyl)-diphenylphosphane (PubChem CID 635008) has the molecular formula C30H24P2 and a molecular weight of 446.47 g/mol. Its IUPAC name is (3-diphenylphosphanylphenyl)-diphenylphosphane.

Molecular Properties

Compound Name(3-diphenylphosphanylphenyl)-diphenylphosphane
PubChem CID635008
Molecular FormulaC30H24P2
Molecular Weight446.47 g/mol
Exact Mass446.14
IUPAC Name(3-diphenylphosphanylphenyl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cccc(P(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C30H24P2/c1-5-14-25(15-6-1)31(26-16-7-2-8-17-26)29-22-13-23-30(24-29)32(27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-24H
InChIKeyFPTBDONGKDQGOT-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.47
LogP ≤ 55.20
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 (3-diphenylphosphanylphenyl)-diphenylphosphane?
The IUPAC name of (3-diphenylphosphanylphenyl)-diphenylphosphane (CID 635008) is (3-diphenylphosphanylphenyl)-diphenylphosphane.
What is the SMILES notation for (3-diphenylphosphanylphenyl)-diphenylphosphane?
The canonical SMILES for (3-diphenylphosphanylphenyl)-diphenylphosphane is c1ccc(P(c2ccccc2)c2cccc(P(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of (3-diphenylphosphanylphenyl)-diphenylphosphane?
The InChIKey is FPTBDONGKDQGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24P2/c1-5-14-25(15-6-1)31(26-16-7-2-8-17-26)29-22-13-23-30(24-29)32(27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-24H.
What are the key properties of (3-diphenylphosphanylphenyl)-diphenylphosphane?
(3-diphenylphosphanylphenyl)-diphenylphosphane has a molecular weight of 446.47 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-diphenylphosphanylphenyl)-diphenylphosphane is sourced from PubChem (CID 635008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).