[2-[(2-diphenylphosphanylphenyl)-diethylsilyl]phenyl]-diphenylphosphane

C40H38P2Si — CID 102440312

IUPAC[2-[(2-diphenylphosphanylphenyl)-diethylsilyl]phenyl]-diphenylphosphane
SMILESCC[Si](CC)(c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H38P2Si/c1-3-43(4-2,39-31-19-17-29-37(39)41(33-21-9-5-10-22-33)34-23-11-6-12-24-34)40-32-20-18-30-38(40)42(35-25-13-7-14-26-35)36-27-15-8-16-28-36/h5-32H,3-4H2,1-2H3
InChIKeyGCZNUKATWUNRJT-UHFFFAOYSA-N
MW608.78 g/mol
LogP6.81
Rot. Bonds10

About [2-[(2-diphenylphosphanylphenyl)-diethylsilyl]phenyl]-diphenylphosphane

[2-[(2-diphenylphosphanylphenyl)-diethylsilyl]phenyl]-diphenylphosphane (PubChem CID 102440312) has the molecular formula C40H38P2Si and a molecular weight of 608.78 g/mol. Its IUPAC name is [2-[(2-diphenylphosphanylphenyl)-diethylsilyl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[(2-diphenylphosphanylphenyl)-diethylsilyl]phenyl]-diphenylphosphane
PubChem CID102440312
Molecular FormulaC40H38P2Si
Molecular Weight608.78 g/mol
Exact Mass608.22
IUPAC Name[2-[(2-diphenylphosphanylphenyl)-diethylsilyl]phenyl]-diphenylphosphane
SMILESCC[Si](CC)(c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H38P2Si/c1-3-43(4-2,39-31-19-17-29-37(39)41(33-21-9-5-10-22-33)34-23-11-6-12-24-34)40-32-20-18-30-38(40)42(35-25-13-7-14-26-35)36-27-15-8-16-28-36/h5-32H,3-4H2,1-2H3
InChIKeyGCZNUKATWUNRJT-UHFFFAOYSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.78
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
(2-ethylphenyl)-diphenylphosphane;hydrobromide
CID 172692670
2-diphenylphosphanyl-N,N-diethylaniline
CID 13103880
butane;triphenylphosphane
CID 161447439
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
(2-pentylphenyl)-diphenylphosphane
CID 22731138
(2-butylphenyl)-diphenylphosphane;hydrobromide
CID 173070100
bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
CID 87203660
ethane;triphenylphosphane
CID 90942156
2-diphenylphosphanylaniline;ethane
CID 177151312
(2,3-dipropoxyphenyl)-diphenylphosphane
CID 13087576
triphenylphosphane
CID 139056248

Frequently Asked Questions

What is the IUPAC name of [2-[(2-diphenylphosphanylphenyl)-diethylsilyl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[(2-diphenylphosphanylphenyl)-diethylsilyl]phenyl]-diphenylphosphane (CID 102440312) is [2-[(2-diphenylphosphanylphenyl)-diethylsilyl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[(2-diphenylphosphanylphenyl)-diethylsilyl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[(2-diphenylphosphanylphenyl)-diethylsilyl]phenyl]-diphenylphosphane is CC[Si](CC)(c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[(2-diphenylphosphanylphenyl)-diethylsilyl]phenyl]-diphenylphosphane?
The InChIKey is GCZNUKATWUNRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38P2Si/c1-3-43(4-2,39-31-19-17-29-37(39)41(33-21-9-5-10-22-33)34-23-11-6-12-24-34)40-32-20-18-30-38(40)42(35-25-13-7-14-26-35)36-27-15-8-16-28-36/h5-32H,3-4H2,1-2H3.
What are the key properties of [2-[(2-diphenylphosphanylphenyl)-diethylsilyl]phenyl]-diphenylphosphane?
[2-[(2-diphenylphosphanylphenyl)-diethylsilyl]phenyl]-diphenylphosphane has a molecular weight of 608.78 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 [2-[(2-diphenylphosphanylphenyl)-diethylsilyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 102440312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).