carbanide;copper;1,8-naphthyridine;triphenylphosphanium

C29H31Cu2N2P-2 — CID 159038461

IUPACcarbanide;copper;1,8-naphthyridine;triphenylphosphanium
SMILES[CH3-].[CH3-].[CH3-].[Cu].[Cu].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1cnc2ncccc2c1
InChIInChI=1S/C18H15P.C8H6N2.3CH3.2Cu/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-4-2-6-10-8(7)9-5-1;;;;;/h1-15H;1-6H;3*1H3;;/q;;3*-1;;/p+1
InChIKeyVKGAWYJAHZNVCJ-UHFFFAOYSA-O
MW565.65 g/mol
LogP6.15
Rot. Bonds3

About carbanide;copper;1,8-naphthyridine;triphenylphosphanium

carbanide;copper;1,8-naphthyridine;triphenylphosphanium (PubChem CID 159038461) has the molecular formula C29H31Cu2N2P-2 and a molecular weight of 565.65 g/mol. Its IUPAC name is carbanide;copper;1,8-naphthyridine;triphenylphosphanium.

Molecular Properties

Compound Namecarbanide;copper;1,8-naphthyridine;triphenylphosphanium
PubChem CID159038461
Molecular FormulaC29H31Cu2N2P-2
Molecular Weight565.65 g/mol
Exact Mass564.08
IUPAC Namecarbanide;copper;1,8-naphthyridine;triphenylphosphanium
SMILES[CH3-].[CH3-].[CH3-].[Cu].[Cu].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1cnc2ncccc2c1
InChIInChI=1S/C18H15P.C8H6N2.3CH3.2Cu/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-4-2-6-10-8(7)9-5-1;;;;;/h1-15H;1-6H;3*1H3;;/q;;3*-1;;/p+1
InChIKeyVKGAWYJAHZNVCJ-UHFFFAOYSA-O
XLogP6.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.65
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;copper;1,8-naphthyridine;triphenylphosphanium?
The IUPAC name of carbanide;copper;1,8-naphthyridine;triphenylphosphanium (CID 159038461) is carbanide;copper;1,8-naphthyridine;triphenylphosphanium.
What is the SMILES notation for carbanide;copper;1,8-naphthyridine;triphenylphosphanium?
The canonical SMILES for carbanide;copper;1,8-naphthyridine;triphenylphosphanium is [CH3-].[CH3-].[CH3-].[Cu].[Cu].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1cnc2ncccc2c1.
What is the InChIKey of carbanide;copper;1,8-naphthyridine;triphenylphosphanium?
The InChIKey is VKGAWYJAHZNVCJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15P.C8H6N2.3CH3.2Cu/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-4-2-6-10-8(7)9-5-1;;;;;/h1-15H;1-6H;3*1H3;;/q;;3*-1;;/p+1.
What are the key properties of carbanide;copper;1,8-naphthyridine;triphenylphosphanium?
carbanide;copper;1,8-naphthyridine;triphenylphosphanium has a molecular weight of 565.65 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;copper;1,8-naphthyridine;triphenylphosphanium is sourced from PubChem (CID 159038461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).