lithium;bis(cyclopentane);diphenylphosphane;diphenylphosphanide;niobium(2+)

C34H41LiNbP2+2 — CID 23229983

IUPAClithium;bis(cyclopentane);diphenylphosphane;diphenylphosphanide;niobium(2+)
SMILESC1CCCC1.C1CCCC1.[Li+].[Nb+2].c1ccc(Pc2ccccc2)cc1.c1ccc([P-]c2ccccc2)cc1
InChIInChI=1S/C12H11P.C12H10P.2C5H10.Li.Nb/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-5-3-1;;/h1-10,13H;1-10H;2*1-5H2;;/q;-1;;;+1;+2
InChIKeyWMZVPQTXCBLKHI-UHFFFAOYSA-N
MW611.50 g/mol
LogP5.80
Rot. Bonds4

About lithium;bis(cyclopentane);diphenylphosphane;diphenylphosphanide;niobium(2+)

lithium;bis(cyclopentane);diphenylphosphane;diphenylphosphanide;niobium(2+) (PubChem CID 23229983) has the molecular formula C34H41LiNbP2+2 and a molecular weight of 611.50 g/mol. Its IUPAC name is lithium;bis(cyclopentane);diphenylphosphane;diphenylphosphanide;niobium(2+).

Molecular Properties

Compound Namelithium;bis(cyclopentane);diphenylphosphane;diphenylphosphanide;niobium(2+)
PubChem CID23229983
Molecular FormulaC34H41LiNbP2+2
Molecular Weight611.50 g/mol
Exact Mass611.19
IUPAC Namelithium;bis(cyclopentane);diphenylphosphane;diphenylphosphanide;niobium(2+)
SMILESC1CCCC1.C1CCCC1.[Li+].[Nb+2].c1ccc(Pc2ccccc2)cc1.c1ccc([P-]c2ccccc2)cc1
InChIInChI=1S/C12H11P.C12H10P.2C5H10.Li.Nb/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-5-3-1;;/h1-10,13H;1-10H;2*1-5H2;;/q;-1;;;+1;+2
InChIKeyWMZVPQTXCBLKHI-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.50
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze lithium;bis(cyclopentane);diphenylphosphane;diphenylphosphanide;niobium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium;bis(cyclopentane);diphenylphosphane;diphenylphosphanide;niobium(2+)?
The IUPAC name of lithium;bis(cyclopentane);diphenylphosphane;diphenylphosphanide;niobium(2+) (CID 23229983) is lithium;bis(cyclopentane);diphenylphosphane;diphenylphosphanide;niobium(2+).
What is the SMILES notation for lithium;bis(cyclopentane);diphenylphosphane;diphenylphosphanide;niobium(2+)?
The canonical SMILES for lithium;bis(cyclopentane);diphenylphosphane;diphenylphosphanide;niobium(2+) is C1CCCC1.C1CCCC1.[Li+].[Nb+2].c1ccc(Pc2ccccc2)cc1.c1ccc([P-]c2ccccc2)cc1.
What is the InChIKey of lithium;bis(cyclopentane);diphenylphosphane;diphenylphosphanide;niobium(2+)?
The InChIKey is WMZVPQTXCBLKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11P.C12H10P.2C5H10.Li.Nb/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-5-3-1;;/h1-10,13H;1-10H;2*1-5H2;;/q;-1;;;+1;+2.
What are the key properties of lithium;bis(cyclopentane);diphenylphosphane;diphenylphosphanide;niobium(2+)?
lithium;bis(cyclopentane);diphenylphosphane;diphenylphosphanide;niobium(2+) has a molecular weight of 611.50 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis(cyclopentane);diphenylphosphane;diphenylphosphanide;niobium(2+) is sourced from PubChem (CID 23229983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).