carbanide;tris(copper(1+));isoquinoline;4-methylpyridine;1,6-naphthyridine;hexakis(triphenylphosphanium)

C134H125Cu3N4P6+6 — CID 162119912

IUPACcarbanide;tris(copper(1+));isoquinoline;4-methylpyridine;1,6-naphthyridine;hexakis(triphenylphosphanium)
SMILESCc1ccncc1.[CH3-].[CH3-].[CH3-].[Cu+].[Cu+].[Cu+].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc2cnccc2c1.c1cnc2ccncc2c1
InChIInChI=1S/6C18H15P.C9H7N.C8H6N2.C6H7N.3CH3.3Cu/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-9-7-10-6-5-8(9)3-1;1-2-7-6-9-5-3-8(7)10-4-1;1-6-2-4-7-5-3-6;;;;;;/h6*1-15H;1-7H;1-6H;2-5H,1H3;3*1H3;;;/q;;;;;;;;;3*-1;3*+1/p+6
InChIKeyHAEFICXVDUTKSZ-UHFFFAOYSA-T
MW2167.98 g/mol
LogP25.66
Rot. Bonds18

About carbanide;tris(copper(1+));isoquinoline;4-methylpyridine;1,6-naphthyridine;hexakis(triphenylphosphanium)

carbanide;tris(copper(1+));isoquinoline;4-methylpyridine;1,6-naphthyridine;hexakis(triphenylphosphanium) (PubChem CID 162119912) has the molecular formula C134H125Cu3N4P6+6 and a molecular weight of 2167.98 g/mol. Its IUPAC name is carbanide;tris(copper(1+));isoquinoline;4-methylpyridine;1,6-naphthyridine;hexakis(triphenylphosphanium).

Molecular Properties

Compound Namecarbanide;tris(copper(1+));isoquinoline;4-methylpyridine;1,6-naphthyridine;hexakis(triphenylphosphanium)
PubChem CID162119912
Molecular FormulaC134H125Cu3N4P6+6
Molecular Weight2167.98 g/mol
Exact Mass2164.62
IUPAC Namecarbanide;tris(copper(1+));isoquinoline;4-methylpyridine;1,6-naphthyridine;hexakis(triphenylphosphanium)
SMILESCc1ccncc1.[CH3-].[CH3-].[CH3-].[Cu+].[Cu+].[Cu+].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc2cnccc2c1.c1cnc2ccncc2c1
InChIInChI=1S/6C18H15P.C9H7N.C8H6N2.C6H7N.3CH3.3Cu/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-9-7-10-6-5-8(9)3-1;1-2-7-6-9-5-3-8(7)10-4-1;1-6-2-4-7-5-3-6;;;;;;/h6*1-15H;1-7H;1-6H;2-5H,1H3;3*1H3;;;/q;;;;;;;;;3*-1;3*+1/p+6
InChIKeyHAEFICXVDUTKSZ-UHFFFAOYSA-T
XLogP25.66
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002167.98
LogP ≤ 525.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

ethane;6-methylisoquinoline;6-methylquinoline
CID 142912911
4-methylpyridine;6-methylquinoline
CID 142243578
ethane;1,7-naphthyridine;quinoline
CID 145375138
cinnoline;ethane;isoquinoline;naphthalene;quinazoline;quinoline;quinoxaline
CID 158080804
isocyanic acid;1,6-naphthyridine
CID 174611151
ethane;isoquinoline;hydroiodide
CID 153349858
isoquinoline;nickel(2+);1,4-xylene;diisothiocyanate
CID 139165945
pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine
CID 67067545
[(Z)-3-deuteriobut-2-en-2-yl]benzene;4-[(Z)-3-deuteriobut-2-en-2-yl]pyridine;ethane;methane;4-methylpyridine;naphthalene;quinoline;toluene
CID 159260194
cinnoline;ethane;isoquinoline;naphthalene;1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline
CID 158115391
2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 157092955
benzene;methane;naphthalene;pyridine;quinoline
CID 159165842

Frequently Asked Questions

What is the IUPAC name of carbanide;tris(copper(1+));isoquinoline;4-methylpyridine;1,6-naphthyridine;hexakis(triphenylphosphanium)?
The IUPAC name of carbanide;tris(copper(1+));isoquinoline;4-methylpyridine;1,6-naphthyridine;hexakis(triphenylphosphanium) (CID 162119912) is carbanide;tris(copper(1+));isoquinoline;4-methylpyridine;1,6-naphthyridine;hexakis(triphenylphosphanium).
What is the SMILES notation for carbanide;tris(copper(1+));isoquinoline;4-methylpyridine;1,6-naphthyridine;hexakis(triphenylphosphanium)?
The canonical SMILES for carbanide;tris(copper(1+));isoquinoline;4-methylpyridine;1,6-naphthyridine;hexakis(triphenylphosphanium) is Cc1ccncc1.[CH3-].[CH3-].[CH3-].[Cu+].[Cu+].[Cu+].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc2cnccc2c1.c1cnc2ccncc2c1.
What is the InChIKey of carbanide;tris(copper(1+));isoquinoline;4-methylpyridine;1,6-naphthyridine;hexakis(triphenylphosphanium)?
The InChIKey is HAEFICXVDUTKSZ-UHFFFAOYSA-T. The full InChI is InChI=1S/6C18H15P.C9H7N.C8H6N2.C6H7N.3CH3.3Cu/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-9-7-10-6-5-8(9)3-1;1-2-7-6-9-5-3-8(7)10-4-1;1-6-2-4-7-5-3-6;;;;;;/h6*1-15H;1-7H;1-6H;2-5H,1H3;3*1H3;;;/q;;;;;;;;;3*-1;3*+1/p+6.
What are the key properties of carbanide;tris(copper(1+));isoquinoline;4-methylpyridine;1,6-naphthyridine;hexakis(triphenylphosphanium)?
carbanide;tris(copper(1+));isoquinoline;4-methylpyridine;1,6-naphthyridine;hexakis(triphenylphosphanium) has a molecular weight of 2167.98 g/mol, XLogP of 25.66, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;tris(copper(1+));isoquinoline;4-methylpyridine;1,6-naphthyridine;hexakis(triphenylphosphanium) is sourced from PubChem (CID 162119912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).