N-diphenylphosphinothioyl-N-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]propan-1-amine

C30H36N2P2SSi — CID 15910225

IUPACN-diphenylphosphinothioyl-N-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]propan-1-amine
SMILESCCCN(P(=S)(c1ccccc1)c1ccccc1)P(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36N2P2SSi/c1-5-26-32(34(35,29-22-14-8-15-23-29)30-24-16-9-17-25-30)33(31-36(2,3)4,27-18-10-6-11-19-27)28-20-12-7-13-21-28/h6-25H,5,26H2,1-4H3
InChIKeyQQZXANPTKVPZOH-UHFFFAOYSA-N
MW546.73 g/mol
LogP7.35
Rot. Bonds9

About N-diphenylphosphinothioyl-N-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]propan-1-amine

N-diphenylphosphinothioyl-N-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]propan-1-amine (PubChem CID 15910225) has the molecular formula C30H36N2P2SSi and a molecular weight of 546.73 g/mol. Its IUPAC name is N-diphenylphosphinothioyl-N-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]propan-1-amine.

Molecular Properties

Compound NameN-diphenylphosphinothioyl-N-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]propan-1-amine
PubChem CID15910225
Molecular FormulaC30H36N2P2SSi
Molecular Weight546.73 g/mol
Exact Mass546.18
IUPAC NameN-diphenylphosphinothioyl-N-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]propan-1-amine
SMILESCCCN(P(=S)(c1ccccc1)c1ccccc1)P(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36N2P2SSi/c1-5-26-32(34(35,29-22-14-8-15-23-29)30-24-16-9-17-25-30)33(31-36(2,3)4,27-18-10-6-11-19-27)28-20-12-7-13-21-28/h6-25H,5,26H2,1-4H3
InChIKeyQQZXANPTKVPZOH-UHFFFAOYSA-N
XLogP7.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.73
LogP ≤ 57.35
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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Related Compounds

ethyl-methyl-phenyl-trimethylsilylimino-lambda5-phosphane
CID 12750881
dimethyl-phenyl-trimethylsilylimino-lambda5-phosphane
CID 12538833
CID 15972570
CID 15972570
CID 45115451
CID 45115451
N,N-dibenzylpropan-1-amine
CID 10840212
phenyl-dipropyl-sulfanylidene-λ5-phosphane
CID 135075774
(4-tert-butylphenyl)-diphenyl-trimethylsilylimino-λ5-phosphane
CID 102250430
carbanide;[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-trimethylsilylazanide;titanium(2+)
CID 20675229
tris(ethyl-phenyl-sulfanylidene-sulfido-λ5-phosphane);zirconium(3+)
CID 174385466
CID 6396783
CID 6396783
CID 101396713
CID 101396713
tert-butyl-fluoro-phenyl-trimethylsilylimino-λ5-phosphane
CID 101009759

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphinothioyl-N-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]propan-1-amine?
The IUPAC name of N-diphenylphosphinothioyl-N-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]propan-1-amine (CID 15910225) is N-diphenylphosphinothioyl-N-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]propan-1-amine.
What is the SMILES notation for N-diphenylphosphinothioyl-N-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]propan-1-amine?
The canonical SMILES for N-diphenylphosphinothioyl-N-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]propan-1-amine is CCCN(P(=S)(c1ccccc1)c1ccccc1)P(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylphosphinothioyl-N-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]propan-1-amine?
The InChIKey is QQZXANPTKVPZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2P2SSi/c1-5-26-32(34(35,29-22-14-8-15-23-29)30-24-16-9-17-25-30)33(31-36(2,3)4,27-18-10-6-11-19-27)28-20-12-7-13-21-28/h6-25H,5,26H2,1-4H3.
What are the key properties of N-diphenylphosphinothioyl-N-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]propan-1-amine?
N-diphenylphosphinothioyl-N-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]propan-1-amine has a molecular weight of 546.73 g/mol, XLogP of 7.35, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphinothioyl-N-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]propan-1-amine is sourced from PubChem (CID 15910225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).