diphenyl-[2-[(2-phenylphosphanylphenyl)methyl]phenyl]phosphane

C31H26P2 — CID 137491605

IUPACdiphenyl-[2-[(2-phenylphosphanylphenyl)methyl]phenyl]phosphane
SMILESc1ccc(Pc2ccccc2Cc2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H26P2/c1-4-16-27(17-5-1)32-30-22-12-10-14-25(30)24-26-15-11-13-23-31(26)33(28-18-6-2-7-19-28)29-20-8-3-9-21-29/h1-23,32H,24H2
InChIKeyDSGPQUSNXTVEJF-UHFFFAOYSA-N
MW460.50 g/mol
LogP5.66
Rot. Bonds7

About diphenyl-[2-[(2-phenylphosphanylphenyl)methyl]phenyl]phosphane

diphenyl-[2-[(2-phenylphosphanylphenyl)methyl]phenyl]phosphane (PubChem CID 137491605) has the molecular formula C31H26P2 and a molecular weight of 460.50 g/mol. Its IUPAC name is diphenyl-[2-[(2-phenylphosphanylphenyl)methyl]phenyl]phosphane.

Molecular Properties

Compound Namediphenyl-[2-[(2-phenylphosphanylphenyl)methyl]phenyl]phosphane
PubChem CID137491605
Molecular FormulaC31H26P2
Molecular Weight460.50 g/mol
Exact Mass460.15
IUPAC Namediphenyl-[2-[(2-phenylphosphanylphenyl)methyl]phenyl]phosphane
SMILESc1ccc(Pc2ccccc2Cc2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H26P2/c1-4-16-27(17-5-1)32-30-22-12-10-14-25(30)24-26-15-11-13-23-31(26)33(28-18-6-2-7-19-28)29-20-8-3-9-21-29/h1-23,32H,24H2
InChIKeyDSGPQUSNXTVEJF-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.50
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

lithium (2-diphenylphosphanylphenyl)methanolate
CID 102445042
(2-ethylphenyl)-diphenylphosphane;hydrobromide
CID 172692670
2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol
CID 155445648
[2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide
CID 172706183
[2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride
CID 172706250
(2-diphenylphosphanylphenyl)methyl-hydroxy-oxophosphanium
CID 22447243
copper(1+);diphenylphosphane;hydride;triphenylphosphane
CID 122655243
2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride
CID 172741972
[2-[[3-[(2-diphenylphosphanylphenyl)methyl]-2H-imidazol-1-yl]methyl]phenyl]-diphenylphosphane
CID 71417943
(9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane
CID 145025633
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
[2-[(3-bromophenyl)methyl]phenyl]-diphenylphosphane;hydrobromide
CID 172741829

Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-[(2-phenylphosphanylphenyl)methyl]phenyl]phosphane?
The IUPAC name of diphenyl-[2-[(2-phenylphosphanylphenyl)methyl]phenyl]phosphane (CID 137491605) is diphenyl-[2-[(2-phenylphosphanylphenyl)methyl]phenyl]phosphane.
What is the SMILES notation for diphenyl-[2-[(2-phenylphosphanylphenyl)methyl]phenyl]phosphane?
The canonical SMILES for diphenyl-[2-[(2-phenylphosphanylphenyl)methyl]phenyl]phosphane is c1ccc(Pc2ccccc2Cc2ccccc2P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenyl-[2-[(2-phenylphosphanylphenyl)methyl]phenyl]phosphane?
The InChIKey is DSGPQUSNXTVEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26P2/c1-4-16-27(17-5-1)32-30-22-12-10-14-25(30)24-26-15-11-13-23-31(26)33(28-18-6-2-7-19-28)29-20-8-3-9-21-29/h1-23,32H,24H2.
What are the key properties of diphenyl-[2-[(2-phenylphosphanylphenyl)methyl]phenyl]phosphane?
diphenyl-[2-[(2-phenylphosphanylphenyl)methyl]phenyl]phosphane has a molecular weight of 460.50 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-[(2-phenylphosphanylphenyl)methyl]phenyl]phosphane is sourced from PubChem (CID 137491605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).