carbanide;cyclohexylazanide;(1,3-dimethylimidazol-2-ylidene)platinum

C13H26N3Pt-3 — CID 169079349

IUPACcarbanide;cyclohexylazanide;(1,3-dimethylimidazol-2-ylidene)platinum
SMILESCn1ccn(C)c1=[Pt].[CH3-].[CH3-].[NH-]C1CCCCC1
InChIInChI=1S/C6H12N.C5H8N2.2CH3.Pt/c7-6-4-2-1-3-5-6;1-6-3-4-7(2)5-6;;;/h6-7H,1-5H2;3-4H,1-2H3;2*1H3;/q-1;;2*-1;
InChIKeyIBAXCXUGLXBWBC-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.71
Rot. Bonds

About carbanide;cyclohexylazanide;(1,3-dimethylimidazol-2-ylidene)platinum

carbanide;cyclohexylazanide;(1,3-dimethylimidazol-2-ylidene)platinum (PubChem CID 169079349) has the molecular formula C13H26N3Pt-3 and a molecular weight of 419.45 g/mol. Its IUPAC name is carbanide;cyclohexylazanide;(1,3-dimethylimidazol-2-ylidene)platinum.

Molecular Properties

Compound Namecarbanide;cyclohexylazanide;(1,3-dimethylimidazol-2-ylidene)platinum
PubChem CID169079349
Molecular FormulaC13H26N3Pt-3
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC Namecarbanide;cyclohexylazanide;(1,3-dimethylimidazol-2-ylidene)platinum
SMILESCn1ccn(C)c1=[Pt].[CH3-].[CH3-].[NH-]C1CCCCC1
InChIInChI=1S/C6H12N.C5H8N2.2CH3.Pt/c7-6-4-2-1-3-5-6;1-6-3-4-7(2)5-6;;;/h6-7H,1-5H2;3-4H,1-2H3;2*1H3;/q-1;;2*-1;
InChIKeyIBAXCXUGLXBWBC-UHFFFAOYSA-N
XLogP3.71
TPSA33.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;cyclohexylazanide;(1,3-dimethylimidazol-2-ylidene)platinum?
The IUPAC name of carbanide;cyclohexylazanide;(1,3-dimethylimidazol-2-ylidene)platinum (CID 169079349) is carbanide;cyclohexylazanide;(1,3-dimethylimidazol-2-ylidene)platinum.
What is the SMILES notation for carbanide;cyclohexylazanide;(1,3-dimethylimidazol-2-ylidene)platinum?
The canonical SMILES for carbanide;cyclohexylazanide;(1,3-dimethylimidazol-2-ylidene)platinum is Cn1ccn(C)c1=[Pt].[CH3-].[CH3-].[NH-]C1CCCCC1.
What is the InChIKey of carbanide;cyclohexylazanide;(1,3-dimethylimidazol-2-ylidene)platinum?
The InChIKey is IBAXCXUGLXBWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N.C5H8N2.2CH3.Pt/c7-6-4-2-1-3-5-6;1-6-3-4-7(2)5-6;;;/h6-7H,1-5H2;3-4H,1-2H3;2*1H3;/q-1;;2*-1;.
What are the key properties of carbanide;cyclohexylazanide;(1,3-dimethylimidazol-2-ylidene)platinum?
carbanide;cyclohexylazanide;(1,3-dimethylimidazol-2-ylidene)platinum has a molecular weight of 419.45 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclohexylazanide;(1,3-dimethylimidazol-2-ylidene)platinum is sourced from PubChem (CID 169079349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).