[3-(diphenylphosphanylmethyl)-2-phenyl-2H-1,3,2-benzodiazasilol-1-yl]methyl-diphenylphosphane

C38H34N2P2Si — CID 102361095

IUPAC[3-(diphenylphosphanylmethyl)-2-phenyl-2H-1,3,2-benzodiazasilol-1-yl]methyl-diphenylphosphane
SMILESc1ccc([SiH]2N(CP(c3ccccc3)c3ccccc3)c3ccccc3N2CP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H34N2P2Si/c1-6-18-32(19-7-1)41(33-20-8-2-9-21-33)30-39-37-28-16-17-29-38(37)40(43(39)36-26-14-5-15-27-36)31-42(34-22-10-3-11-23-34)35-24-12-4-13-25-35/h1-29,43H,30-31H2
InChIKeyCRTGKTNMLRMDCB-UHFFFAOYSA-N
MW608.74 g/mol
LogP6.62
Rot. Bonds9

About [3-(diphenylphosphanylmethyl)-2-phenyl-2H-1,3,2-benzodiazasilol-1-yl]methyl-diphenylphosphane

[3-(diphenylphosphanylmethyl)-2-phenyl-2H-1,3,2-benzodiazasilol-1-yl]methyl-diphenylphosphane (PubChem CID 102361095) has the molecular formula C38H34N2P2Si and a molecular weight of 608.74 g/mol. Its IUPAC name is [3-(diphenylphosphanylmethyl)-2-phenyl-2H-1,3,2-benzodiazasilol-1-yl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[3-(diphenylphosphanylmethyl)-2-phenyl-2H-1,3,2-benzodiazasilol-1-yl]methyl-diphenylphosphane
PubChem CID102361095
Molecular FormulaC38H34N2P2Si
Molecular Weight608.74 g/mol
Exact Mass608.20
IUPAC Name[3-(diphenylphosphanylmethyl)-2-phenyl-2H-1,3,2-benzodiazasilol-1-yl]methyl-diphenylphosphane
SMILESc1ccc([SiH]2N(CP(c3ccccc3)c3ccccc3)c3ccccc3N2CP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H34N2P2Si/c1-6-18-32(19-7-1)41(33-20-8-2-9-21-33)30-39-37-28-16-17-29-38(37)40(43(39)36-26-14-5-15-27-36)31-42(34-22-10-3-11-23-34)35-24-12-4-13-25-35/h1-29,43H,30-31H2
InChIKeyCRTGKTNMLRMDCB-UHFFFAOYSA-N
XLogP6.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.74
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [3-(diphenylphosphanylmethyl)-2-phenyl-2H-1,3,2-benzodiazasilol-1-yl]methyl-diphenylphosphane?
The IUPAC name of [3-(diphenylphosphanylmethyl)-2-phenyl-2H-1,3,2-benzodiazasilol-1-yl]methyl-diphenylphosphane (CID 102361095) is [3-(diphenylphosphanylmethyl)-2-phenyl-2H-1,3,2-benzodiazasilol-1-yl]methyl-diphenylphosphane.
What is the SMILES notation for [3-(diphenylphosphanylmethyl)-2-phenyl-2H-1,3,2-benzodiazasilol-1-yl]methyl-diphenylphosphane?
The canonical SMILES for [3-(diphenylphosphanylmethyl)-2-phenyl-2H-1,3,2-benzodiazasilol-1-yl]methyl-diphenylphosphane is c1ccc([SiH]2N(CP(c3ccccc3)c3ccccc3)c3ccccc3N2CP(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [3-(diphenylphosphanylmethyl)-2-phenyl-2H-1,3,2-benzodiazasilol-1-yl]methyl-diphenylphosphane?
The InChIKey is CRTGKTNMLRMDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N2P2Si/c1-6-18-32(19-7-1)41(33-20-8-2-9-21-33)30-39-37-28-16-17-29-38(37)40(43(39)36-26-14-5-15-27-36)31-42(34-22-10-3-11-23-34)35-24-12-4-13-25-35/h1-29,43H,30-31H2.
What are the key properties of [3-(diphenylphosphanylmethyl)-2-phenyl-2H-1,3,2-benzodiazasilol-1-yl]methyl-diphenylphosphane?
[3-(diphenylphosphanylmethyl)-2-phenyl-2H-1,3,2-benzodiazasilol-1-yl]methyl-diphenylphosphane has a molecular weight of 608.74 g/mol, XLogP of 6.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diphenylphosphanylmethyl)-2-phenyl-2H-1,3,2-benzodiazasilol-1-yl]methyl-diphenylphosphane is sourced from PubChem (CID 102361095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).