[bis[diphenylphosphanyl(dimethyl)silyl]methyl-dimethylsilyl]-diphenylphosphane

C43H49P3Si3 — CID 15848993

IUPAC[bis[diphenylphosphanyl(dimethyl)silyl]methyl-dimethylsilyl]-diphenylphosphane
SMILESC[Si](C)(C([Si](C)(C)P(c1ccccc1)c1ccccc1)[Si](C)(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H49P3Si3/c1-47(2,44(37-25-13-7-14-26-37)38-27-15-8-16-28-38)43(48(3,4)45(39-29-17-9-18-30-39)40-31-19-10-20-32-40)49(5,6)46(41-33-21-11-22-34-41)42-35-23-12-24-36-42/h7-36,43H,1-6H3
InChIKeyAOWVBVAOURZMJR-UHFFFAOYSA-N
MW743.05 g/mol
LogP10.45
Rot. Bonds12

About [bis[diphenylphosphanyl(dimethyl)silyl]methyl-dimethylsilyl]-diphenylphosphane

[bis[diphenylphosphanyl(dimethyl)silyl]methyl-dimethylsilyl]-diphenylphosphane (PubChem CID 15848993) has the molecular formula C43H49P3Si3 and a molecular weight of 743.05 g/mol. Its IUPAC name is [bis[diphenylphosphanyl(dimethyl)silyl]methyl-dimethylsilyl]-diphenylphosphane.

Molecular Properties

Compound Name[bis[diphenylphosphanyl(dimethyl)silyl]methyl-dimethylsilyl]-diphenylphosphane
PubChem CID15848993
Molecular FormulaC43H49P3Si3
Molecular Weight743.05 g/mol
Exact Mass742.24
IUPAC Name[bis[diphenylphosphanyl(dimethyl)silyl]methyl-dimethylsilyl]-diphenylphosphane
SMILESC[Si](C)(C([Si](C)(C)P(c1ccccc1)c1ccccc1)[Si](C)(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H49P3Si3/c1-47(2,44(37-25-13-7-14-26-37)38-27-15-8-16-28-38)43(48(3,4)45(39-29-17-9-18-30-39)40-31-19-10-20-32-40)49(5,6)46(41-33-21-11-22-34-41)42-35-23-12-24-36-42/h7-36,43H,1-6H3
InChIKeyAOWVBVAOURZMJR-UHFFFAOYSA-N
XLogP10.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.05
LogP ≤ 510.45
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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Frequently Asked Questions

What is the IUPAC name of [bis[diphenylphosphanyl(dimethyl)silyl]methyl-dimethylsilyl]-diphenylphosphane?
The IUPAC name of [bis[diphenylphosphanyl(dimethyl)silyl]methyl-dimethylsilyl]-diphenylphosphane (CID 15848993) is [bis[diphenylphosphanyl(dimethyl)silyl]methyl-dimethylsilyl]-diphenylphosphane.
What is the SMILES notation for [bis[diphenylphosphanyl(dimethyl)silyl]methyl-dimethylsilyl]-diphenylphosphane?
The canonical SMILES for [bis[diphenylphosphanyl(dimethyl)silyl]methyl-dimethylsilyl]-diphenylphosphane is C[Si](C)(C([Si](C)(C)P(c1ccccc1)c1ccccc1)[Si](C)(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of [bis[diphenylphosphanyl(dimethyl)silyl]methyl-dimethylsilyl]-diphenylphosphane?
The InChIKey is AOWVBVAOURZMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H49P3Si3/c1-47(2,44(37-25-13-7-14-26-37)38-27-15-8-16-28-38)43(48(3,4)45(39-29-17-9-18-30-39)40-31-19-10-20-32-40)49(5,6)46(41-33-21-11-22-34-41)42-35-23-12-24-36-42/h7-36,43H,1-6H3.
What are the key properties of [bis[diphenylphosphanyl(dimethyl)silyl]methyl-dimethylsilyl]-diphenylphosphane?
[bis[diphenylphosphanyl(dimethyl)silyl]methyl-dimethylsilyl]-diphenylphosphane has a molecular weight of 743.05 g/mol, XLogP of 10.45, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [bis[diphenylphosphanyl(dimethyl)silyl]methyl-dimethylsilyl]-diphenylphosphane is sourced from PubChem (CID 15848993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).