[3-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-2-[[diphenyl(trimethylsilylimino)-λ5-phosphanyl]methyl]propyl]-diphenyl-trimethylsilylimino-λ5-phosphane

C49H64N3P3Si3 — CID 102330600

IUPAC[3-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-2-[[diphenyl(trimethylsilylimino)-λ5-phosphanyl]methyl]propyl]-diphenyl-trimethylsilylimino-λ5-phosphane
SMILESC[Si](C)(C)N=P(CC(CP(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1)CP(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C49H64N3P3Si3/c1-56(2,3)50-53(44-28-16-10-17-29-44,45-30-18-11-19-31-45)40-43(41-54(51-57(4,5)6,46-32-20-12-21-33-46)47-34-22-13-23-35-47)42-55(52-58(7,8)9,48-36-24-14-25-37-48)49-38-26-15-27-39-49/h10-39,43H,40-42H2,1-9H3
InChIKeyKHQBUFSKBBEAML-UHFFFAOYSA-N
MW872.25 g/mol
LogP12.66
Rot. Bonds15

About [3-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-2-[[diphenyl(trimethylsilylimino)-λ5-phosphanyl]methyl]propyl]-diphenyl-trimethylsilylimino-λ5-phosphane

[3-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-2-[[diphenyl(trimethylsilylimino)-λ5-phosphanyl]methyl]propyl]-diphenyl-trimethylsilylimino-λ5-phosphane (PubChem CID 102330600) has the molecular formula C49H64N3P3Si3 and a molecular weight of 872.25 g/mol. Its IUPAC name is [3-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-2-[[diphenyl(trimethylsilylimino)-λ5-phosphanyl]methyl]propyl]-diphenyl-trimethylsilylimino-λ5-phosphane.

Molecular Properties

Compound Name[3-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-2-[[diphenyl(trimethylsilylimino)-λ5-phosphanyl]methyl]propyl]-diphenyl-trimethylsilylimino-λ5-phosphane
PubChem CID102330600
Molecular FormulaC49H64N3P3Si3
Molecular Weight872.25 g/mol
Exact Mass871.36
IUPAC Name[3-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-2-[[diphenyl(trimethylsilylimino)-λ5-phosphanyl]methyl]propyl]-diphenyl-trimethylsilylimino-λ5-phosphane
SMILESC[Si](C)(C)N=P(CC(CP(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1)CP(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C49H64N3P3Si3/c1-56(2,3)50-53(44-28-16-10-17-29-44,45-30-18-11-19-31-45)40-43(41-54(51-57(4,5)6,46-32-20-12-21-33-46)47-34-22-13-23-35-47)42-55(52-58(7,8)9,48-36-24-14-25-37-48)49-38-26-15-27-39-49/h10-39,43H,40-42H2,1-9H3
InChIKeyKHQBUFSKBBEAML-UHFFFAOYSA-N
XLogP12.66
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.25
LogP ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-2-[[diphenyl(trimethylsilylimino)-λ5-phosphanyl]methyl]propyl]-diphenyl-trimethylsilylimino-λ5-phosphane?
The IUPAC name of [3-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-2-[[diphenyl(trimethylsilylimino)-λ5-phosphanyl]methyl]propyl]-diphenyl-trimethylsilylimino-λ5-phosphane (CID 102330600) is [3-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-2-[[diphenyl(trimethylsilylimino)-λ5-phosphanyl]methyl]propyl]-diphenyl-trimethylsilylimino-λ5-phosphane.
What is the SMILES notation for [3-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-2-[[diphenyl(trimethylsilylimino)-λ5-phosphanyl]methyl]propyl]-diphenyl-trimethylsilylimino-λ5-phosphane?
The canonical SMILES for [3-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-2-[[diphenyl(trimethylsilylimino)-λ5-phosphanyl]methyl]propyl]-diphenyl-trimethylsilylimino-λ5-phosphane is C[Si](C)(C)N=P(CC(CP(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1)CP(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-2-[[diphenyl(trimethylsilylimino)-λ5-phosphanyl]methyl]propyl]-diphenyl-trimethylsilylimino-λ5-phosphane?
The InChIKey is KHQBUFSKBBEAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H64N3P3Si3/c1-56(2,3)50-53(44-28-16-10-17-29-44,45-30-18-11-19-31-45)40-43(41-54(51-57(4,5)6,46-32-20-12-21-33-46)47-34-22-13-23-35-47)42-55(52-58(7,8)9,48-36-24-14-25-37-48)49-38-26-15-27-39-49/h10-39,43H,40-42H2,1-9H3.
What are the key properties of [3-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-2-[[diphenyl(trimethylsilylimino)-λ5-phosphanyl]methyl]propyl]-diphenyl-trimethylsilylimino-λ5-phosphane?
[3-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-2-[[diphenyl(trimethylsilylimino)-λ5-phosphanyl]methyl]propyl]-diphenyl-trimethylsilylimino-λ5-phosphane has a molecular weight of 872.25 g/mol, XLogP of 12.66, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-2-[[diphenyl(trimethylsilylimino)-λ5-phosphanyl]methyl]propyl]-diphenyl-trimethylsilylimino-λ5-phosphane is sourced from PubChem (CID 102330600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).