lithium bis(2-diphenylphosphanylphenyl)azanide

C36H28LiNP2 — CID 87445331

IUPAClithium bis(2-diphenylphosphanylphenyl)azanide
SMILES[Li+].c1ccc(P(c2ccccc2)c2ccccc2[N-]c2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H28NP2.Li/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;/h1-28H;/q-1;+1
InChIKeyBNAGLHHVAHUORV-UHFFFAOYSA-N
MW543.52 g/mol
LogP4.54
Rot. Bonds8

About lithium bis(2-diphenylphosphanylphenyl)azanide

lithium bis(2-diphenylphosphanylphenyl)azanide (PubChem CID 87445331) has the molecular formula C36H28LiNP2 and a molecular weight of 543.52 g/mol. Its IUPAC name is lithium bis(2-diphenylphosphanylphenyl)azanide.

Molecular Properties

Compound Namelithium bis(2-diphenylphosphanylphenyl)azanide
PubChem CID87445331
Molecular FormulaC36H28LiNP2
Molecular Weight543.52 g/mol
Exact Mass543.19
IUPAC Namelithium bis(2-diphenylphosphanylphenyl)azanide
SMILES[Li+].c1ccc(P(c2ccccc2)c2ccccc2[N-]c2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H28NP2.Li/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;/h1-28H;/q-1;+1
InChIKeyBNAGLHHVAHUORV-UHFFFAOYSA-N
XLogP4.54
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.52
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2-diphenylphosphanylphenyl)-[2-di(propan-2-yl)phosphanylphenyl]azanide
CID 101476712
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
CID 87203660
2-diphenylphosphanylaniline;ethane
CID 177151312
triphenylphosphane
CID 139056248
dichloro-(2-diphenylphosphanylphenyl)phosphane
CID 5108470
lithium (2-diphenylphosphanylphenyl)methanolate
CID 102445042
[3-chloro-2-(2-chloro-6-diphenylphosphanylphenyl)phenyl]-diphenylphosphane
CID 22415599
[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane
CID 158378188
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776

Frequently Asked Questions

What is the IUPAC name of lithium bis(2-diphenylphosphanylphenyl)azanide?
The IUPAC name of lithium bis(2-diphenylphosphanylphenyl)azanide (CID 87445331) is lithium bis(2-diphenylphosphanylphenyl)azanide.
What is the SMILES notation for lithium bis(2-diphenylphosphanylphenyl)azanide?
The canonical SMILES for lithium bis(2-diphenylphosphanylphenyl)azanide is [Li+].c1ccc(P(c2ccccc2)c2ccccc2[N-]c2ccccc2P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of lithium bis(2-diphenylphosphanylphenyl)azanide?
The InChIKey is BNAGLHHVAHUORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28NP2.Li/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;/h1-28H;/q-1;+1.
What are the key properties of lithium bis(2-diphenylphosphanylphenyl)azanide?
lithium bis(2-diphenylphosphanylphenyl)azanide has a molecular weight of 543.52 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium bis(2-diphenylphosphanylphenyl)azanide is sourced from PubChem (CID 87445331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).