lithium [diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide

C30H32LiN2P — CID 101471144

IUPAClithium [diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide
SMILESCC(C)c1ccc(N=P([N-]c2ccc(C(C)C)cc2)(c2ccccc2)c2ccccc2)cc1.[Li+]
InChIInChI=1S/C30H32N2P.Li/c1-23(2)25-15-19-27(20-16-25)31-33(29-11-7-5-8-12-29,30-13-9-6-10-14-30)32-28-21-17-26(18-22-28)24(3)4;/h5-24H,1-4H3;/q-1;+1
InChIKeyFGXLJWPGPVGUSD-UHFFFAOYSA-N
MW458.52 g/mol
LogP6.04
Rot. Bonds7

About lithium [diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide

lithium [diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide (PubChem CID 101471144) has the molecular formula C30H32LiN2P and a molecular weight of 458.52 g/mol. Its IUPAC name is lithium [diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide.

Molecular Properties

Compound Namelithium [diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide
PubChem CID101471144
Molecular FormulaC30H32LiN2P
Molecular Weight458.52 g/mol
Exact Mass458.25
IUPAC Namelithium [diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide
SMILESCC(C)c1ccc(N=P([N-]c2ccc(C(C)C)cc2)(c2ccccc2)c2ccccc2)cc1.[Li+]
InChIInChI=1S/C30H32N2P.Li/c1-23(2)25-15-19-27(20-16-25)31-33(29-11-7-5-8-12-29,30-13-9-6-10-14-30)32-28-21-17-26(18-22-28)24(3)4;/h5-24H,1-4H3;/q-1;+1
InChIKeyFGXLJWPGPVGUSD-UHFFFAOYSA-N
XLogP6.04
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis([diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide);palladium(2+)
CID 139101514
[5-[diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]pyrrol-1-id-2-yl]-diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphane;ethene;rhodium
CID 139186699
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
cumene;hydrogen peroxide
CID 21225480
cumene;zinc
CID 159490121
cumene;2-methylpropane
CID 90828344
cumene;ethane
CID 54306132
diphenyl-phenylimino-propan-2-yl-lambda5-phosphane
CID 13452466
CID 160506105
CID 160506105
cumene;ethane;bis(2-methylpropane)
CID 161044029

Frequently Asked Questions

What is the IUPAC name of lithium [diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide?
The IUPAC name of lithium [diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide (CID 101471144) is lithium [diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide.
What is the SMILES notation for lithium [diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide?
The canonical SMILES for lithium [diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide is CC(C)c1ccc(N=P([N-]c2ccc(C(C)C)cc2)(c2ccccc2)c2ccccc2)cc1.[Li+].
What is the InChIKey of lithium [diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide?
The InChIKey is FGXLJWPGPVGUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2P.Li/c1-23(2)25-15-19-27(20-16-25)31-33(29-11-7-5-8-12-29,30-13-9-6-10-14-30)32-28-21-17-26(18-22-28)24(3)4;/h5-24H,1-4H3;/q-1;+1.
What are the key properties of lithium [diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide?
lithium [diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide has a molecular weight of 458.52 g/mol, XLogP of 6.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide is sourced from PubChem (CID 101471144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).