carbanide;nickel;triphenylphosphanium

C19H19NiP — CID 87436309

IUPACcarbanide;nickel;triphenylphosphanium
SMILES[CH3-].[Ni].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.CH3.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-15H;1H3;/q;-1;/p+1
InChIKeyCROZTNDYLFRCOR-UHFFFAOYSA-O
MW337.03 g/mol
LogP3.62
Rot. Bonds3

About carbanide;nickel;triphenylphosphanium

carbanide;nickel;triphenylphosphanium (PubChem CID 87436309) has the molecular formula C19H19NiP and a molecular weight of 337.03 g/mol. Its IUPAC name is carbanide;nickel;triphenylphosphanium.

Molecular Properties

Compound Namecarbanide;nickel;triphenylphosphanium
PubChem CID87436309
Molecular FormulaC19H19NiP
Molecular Weight337.03 g/mol
Exact Mass336.06
IUPAC Namecarbanide;nickel;triphenylphosphanium
SMILES[CH3-].[Ni].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.CH3.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-15H;1H3;/q;-1;/p+1
InChIKeyCROZTNDYLFRCOR-UHFFFAOYSA-O
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.03
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Triphenyltin Chloride
CID 12540
Triphenylphosphine
CID 11776
Triphenyltin hydroxide
CID 9907219
Triphenylantimony
CID 11777
Triphenyltin fluoride
CID 9786
Triphenylbismuth
CID 11774
Triphenylphosphine Oxide
CID 13097
Triphenylborane
CID 70400
Methyltriphenyliphosphonium bromide
CID 74505
Tetraphenylphosphonium
CID 164912
Dimethyldiphenylphosphonium iodide
CID 11099938
Phosphine, tris(4-methylphenyl)-
CID 13956

Frequently Asked Questions

What is the IUPAC name of carbanide;nickel;triphenylphosphanium?
The IUPAC name of carbanide;nickel;triphenylphosphanium (CID 87436309) is carbanide;nickel;triphenylphosphanium.
What is the SMILES notation for carbanide;nickel;triphenylphosphanium?
The canonical SMILES for carbanide;nickel;triphenylphosphanium is [CH3-].[Ni].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbanide;nickel;triphenylphosphanium?
The InChIKey is CROZTNDYLFRCOR-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15P.CH3.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-15H;1H3;/q;-1;/p+1.
What are the key properties of carbanide;nickel;triphenylphosphanium?
carbanide;nickel;triphenylphosphanium has a molecular weight of 337.03 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;nickel;triphenylphosphanium is sourced from PubChem (CID 87436309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).