lithium bis(tritylsilyl)azanide

C38H34LiNSi2 — CID 172712508

IUPAClithium bis(tritylsilyl)azanide
SMILES[Li+].c1ccc(C([SiH2][N-][SiH2]C(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H34NSi2.Li/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)40-39-41-38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;/h1-30H,40-41H2;/q-1;+1
InChIKeyFKXCYYIXJXXHJK-UHFFFAOYSA-N
MW567.81 g/mol
LogP4.52
Rot. Bonds10

About lithium bis(tritylsilyl)azanide

lithium bis(tritylsilyl)azanide (PubChem CID 172712508) has the molecular formula C38H34LiNSi2 and a molecular weight of 567.81 g/mol. Its IUPAC name is lithium bis(tritylsilyl)azanide.

Molecular Properties

Compound Namelithium bis(tritylsilyl)azanide
PubChem CID172712508
Molecular FormulaC38H34LiNSi2
Molecular Weight567.81 g/mol
Exact Mass567.24
IUPAC Namelithium bis(tritylsilyl)azanide
SMILES[Li+].c1ccc(C([SiH2][N-][SiH2]C(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H34NSi2.Li/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)40-39-41-38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;/h1-30H,40-41H2;/q-1;+1
InChIKeyFKXCYYIXJXXHJK-UHFFFAOYSA-N
XLogP4.52
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.81
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of lithium bis(tritylsilyl)azanide?
The IUPAC name of lithium bis(tritylsilyl)azanide (CID 172712508) is lithium bis(tritylsilyl)azanide.
What is the SMILES notation for lithium bis(tritylsilyl)azanide?
The canonical SMILES for lithium bis(tritylsilyl)azanide is [Li+].c1ccc(C([SiH2][N-][SiH2]C(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of lithium bis(tritylsilyl)azanide?
The InChIKey is FKXCYYIXJXXHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34NSi2.Li/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)40-39-41-38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;/h1-30H,40-41H2;/q-1;+1.
What are the key properties of lithium bis(tritylsilyl)azanide?
lithium bis(tritylsilyl)azanide has a molecular weight of 567.81 g/mol, XLogP of 4.52, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium bis(tritylsilyl)azanide is sourced from PubChem (CID 172712508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).