lithium diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide

C24H27LiNP — CID 102138633

IUPAClithium diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide
SMILESCC(C)c1cccc(C(C)C)c1[N-]P(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C24H27NP.Li/c1-18(2)22-16-11-17-23(19(3)4)24(22)25-26(20-12-7-5-8-13-20)21-14-9-6-10-15-21;/h5-19H,1-4H3;/q-1;+1
InChIKeyBZISTVZRJTXNRN-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.99
Rot. Bonds6

About lithium diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide

lithium diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide (PubChem CID 102138633) has the molecular formula C24H27LiNP and a molecular weight of 367.40 g/mol. Its IUPAC name is lithium diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide.

Molecular Properties

Compound Namelithium diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide
PubChem CID102138633
Molecular FormulaC24H27LiNP
Molecular Weight367.40 g/mol
Exact Mass367.20
IUPAC Namelithium diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide
SMILESCC(C)c1cccc(C(C)C)c1[N-]P(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C24H27NP.Li/c1-18(2)22-16-11-17-23(19(3)4)24(22)25-26(20-12-7-5-8-13-20)21-14-9-6-10-15-21;/h5-19H,1-4H3;/q-1;+1
InChIKeyBZISTVZRJTXNRN-UHFFFAOYSA-N
XLogP3.99
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide?
The IUPAC name of lithium diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide (CID 102138633) is lithium diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide.
What is the SMILES notation for lithium diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide?
The canonical SMILES for lithium diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide is CC(C)c1cccc(C(C)C)c1[N-]P(c1ccccc1)c1ccccc1.[Li+].
What is the InChIKey of lithium diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide?
The InChIKey is BZISTVZRJTXNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NP.Li/c1-18(2)22-16-11-17-23(19(3)4)24(22)25-26(20-12-7-5-8-13-20)21-14-9-6-10-15-21;/h5-19H,1-4H3;/q-1;+1.
What are the key properties of lithium diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide?
lithium diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide has a molecular weight of 367.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide is sourced from PubChem (CID 102138633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).