carbanide;cyclopentyl-methylimino-diphenyl-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)

C31H58NPSi3Zr — CID 58140381

IUPACcarbanide;cyclopentyl-methylimino-diphenyl-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)
SMILESCN=P(c1ccccc1)(c1ccccc1)C1CCCC1.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH3-].[Zr+4]
InChIInChI=1S/C18H22NP.3C4H11Si.CH3.Zr/c1-19-20(18-14-8-9-15-18,16-10-4-2-5-11-16)17-12-6-3-7-13-17;3*1-5(2,3)4;;/h2-7,10-13,18H,8-9,14-15H2,1H3;3*1H2,2-4H3;1H3;/q;4*-1;+4
InChIKeyKDLDEXXHKHLMMS-UHFFFAOYSA-N
MW651.27 g/mol
LogP9.95
Rot. Bonds3

About carbanide;cyclopentyl-methylimino-diphenyl-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)

carbanide;cyclopentyl-methylimino-diphenyl-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+) (PubChem CID 58140381) has the molecular formula C31H58NPSi3Zr and a molecular weight of 651.27 g/mol. Its IUPAC name is carbanide;cyclopentyl-methylimino-diphenyl-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+).

Molecular Properties

Compound Namecarbanide;cyclopentyl-methylimino-diphenyl-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)
PubChem CID58140381
Molecular FormulaC31H58NPSi3Zr
Molecular Weight651.27 g/mol
Exact Mass649.27
IUPAC Namecarbanide;cyclopentyl-methylimino-diphenyl-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)
SMILESCN=P(c1ccccc1)(c1ccccc1)C1CCCC1.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH3-].[Zr+4]
InChIInChI=1S/C18H22NP.3C4H11Si.CH3.Zr/c1-19-20(18-14-8-9-15-18,16-10-4-2-5-11-16)17-12-6-3-7-13-17;3*1-5(2,3)4;;/h2-7,10-13,18H,8-9,14-15H2,1H3;3*1H2,2-4H3;1H3;/q;4*-1;+4
InChIKeyKDLDEXXHKHLMMS-UHFFFAOYSA-N
XLogP9.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.27
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze carbanide;cyclopentyl-methylimino-diphenyl-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+) with MolForge

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

Launch Full Analysis

Related Compounds

carbanide;cyclopentyl-methylimino-diphenyl-λ5-phosphane;bis(methanidyl(trimethyl)silane);yttrium(3+)
CID 58140360
carbanide;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphane;tribromozirconium
CID 58140353
carbanide;[2,6-di(propan-2-yl)phenyl]imino-diphenyl-(4,4,6,6-tetramethyl-1,2,3,3a,5,6a-hexahydropentalen-2-yl)-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)
CID 58140367
methylidene-diphenyl-(3-trimethylsilylcyclopentyl)-λ5-phosphane
CID 59371973
carbanide;N-[cyclopenta-2,4-dien-1-ylidene(diphenyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphane;heptakis(dimethylazanide);N-methylmethanamine;bis(zirconium(4+))
CID 162281065
dimethyl-phenyl-trimethylsilylimino-lambda5-phosphane
CID 12538833
[butyl(cyclohexyl)phosphoryl]benzene
CID 66796119
[cyclopropyl(methyl)phosphoryl]benzene
CID 601643
cyclopentyl-methyl-diphenylsilane
CID 123376620
cyclopentyl-dimethyl-phenylsilane
CID 59962320
[cyclohexyl(phenyl)phosphoryl]oxybenzene
CID 174639588
dicyclohexyl-[[3-[[dicyclohexyl(trimethylsilylimino)-lambda5-phosphanyl]methyl]phenyl]methyl]-trimethylsilylimino-lambda5-phosphane
CID 5251979

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopentyl-methylimino-diphenyl-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)?
The IUPAC name of carbanide;cyclopentyl-methylimino-diphenyl-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+) (CID 58140381) is carbanide;cyclopentyl-methylimino-diphenyl-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+).
What is the SMILES notation for carbanide;cyclopentyl-methylimino-diphenyl-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)?
The canonical SMILES for carbanide;cyclopentyl-methylimino-diphenyl-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+) is CN=P(c1ccccc1)(c1ccccc1)C1CCCC1.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH3-].[Zr+4].
What is the InChIKey of carbanide;cyclopentyl-methylimino-diphenyl-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)?
The InChIKey is KDLDEXXHKHLMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NP.3C4H11Si.CH3.Zr/c1-19-20(18-14-8-9-15-18,16-10-4-2-5-11-16)17-12-6-3-7-13-17;3*1-5(2,3)4;;/h2-7,10-13,18H,8-9,14-15H2,1H3;3*1H2,2-4H3;1H3;/q;4*-1;+4.
What are the key properties of carbanide;cyclopentyl-methylimino-diphenyl-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)?
carbanide;cyclopentyl-methylimino-diphenyl-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+) has a molecular weight of 651.27 g/mol, XLogP of 9.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentyl-methylimino-diphenyl-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+) is sourced from PubChem (CID 58140381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).