tetrakis(1-methyl-4,5-diphenylimidazole);nickel(2+);dihydroxide;hydrate

C64H60N8NiO3 — CID 139196607

IUPACtetrakis(1-methyl-4,5-diphenylimidazole);nickel(2+);dihydroxide;hydrate
SMILESCn1cnc(-c2ccccc2)c1-c1ccccc1.Cn1cnc(-c2ccccc2)c1-c1ccccc1.Cn1cnc(-c2ccccc2)c1-c1ccccc1.Cn1cnc(-c2ccccc2)c1-c1ccccc1.O.[Ni+2].[OH-].[OH-]
InChIInChI=1S/4C16H14N2.Ni.3H2O/c4*1-18-12-17-15(13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14;;;;/h4*2-12H,1H3;;3*1H2/q;;;;+2;;;/p-2
InChIKeyOCIDQADBARAZJC-UHFFFAOYSA-L
MW1047.93 g/mol
LogP13.84
Rot. Bonds8

About tetrakis(1-methyl-4,5-diphenylimidazole);nickel(2+);dihydroxide;hydrate

tetrakis(1-methyl-4,5-diphenylimidazole);nickel(2+);dihydroxide;hydrate (PubChem CID 139196607) has the molecular formula C64H60N8NiO3 and a molecular weight of 1047.93 g/mol. Its IUPAC name is tetrakis(1-methyl-4,5-diphenylimidazole);nickel(2+);dihydroxide;hydrate.

Molecular Properties

Compound Nametetrakis(1-methyl-4,5-diphenylimidazole);nickel(2+);dihydroxide;hydrate
PubChem CID139196607
Molecular FormulaC64H60N8NiO3
Molecular Weight1047.93 g/mol
Exact Mass1046.41
IUPAC Nametetrakis(1-methyl-4,5-diphenylimidazole);nickel(2+);dihydroxide;hydrate
SMILESCn1cnc(-c2ccccc2)c1-c1ccccc1.Cn1cnc(-c2ccccc2)c1-c1ccccc1.Cn1cnc(-c2ccccc2)c1-c1ccccc1.Cn1cnc(-c2ccccc2)c1-c1ccccc1.O.[Ni+2].[OH-].[OH-]
InChIInChI=1S/4C16H14N2.Ni.3H2O/c4*1-18-12-17-15(13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14;;;;/h4*2-12H,1H3;;3*1H2/q;;;;+2;;;/p-2
InChIKeyOCIDQADBARAZJC-UHFFFAOYSA-L
XLogP13.84
TPSA162.78 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001047.93
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

2,4,5-Triphenyl-1-[8-(2,4,5-triphenylimidazol-1-yl)octyl]imidazole
CID 71654401
4,5-Diphenyl-1-tritylimidazole
CID 4180439
2,4,5-Triphenyl-1-[10-(2,4,5-triphenylimidazol-1-yl)decyl]imidazole
CID 71654399
2,4,5-Triphenyl-1-[9-(2,4,5-triphenylimidazol-1-yl)nonyl]imidazole
CID 71654400
2,4,5-Triphenyl-1-[7-(2,4,5-triphenylimidazol-1-yl)heptyl]imidazole
CID 71654560
2,4,5-Triphenyl-1-[6-(2,4,5-triphenyl-1h-1-imidazolyl)hexyl]-1h-imidazole
CID 71717040
1-Phenyl-2-[3-(1-phenylimidazol-2-yl)-5-[3-(1-phenylimidazol-2-yl)-5-[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]phenyl]-4-(trifluoromethyl)imidazole
CID 148780314
(3-{[Bis-(1-methyl-1h-benzoimidazol-2-ylmethyl)-amino]-methyl}-benzyl)-bis-(1-methyl-1h-benzoimidazol-2-ylmethyl)-amine
CID 12979477
N-[[3-[[bis[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]phenyl]methyl]-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
CID 14980112
Tris[1-methyl-4-(4-methylphenyl)imidazol-2-yl]phosphine
CID 15897938
1-Methyl-2-(1-methyl-4,5-diphenylimidazol-2-yl)-4,5-diphenylimidazole
CID 44623032
1,2,4,5-Tetrakis(benzimidazol-1-ylmethyl)-benzene
CID 90883303

Frequently Asked Questions

What is the IUPAC name of tetrakis(1-methyl-4,5-diphenylimidazole);nickel(2+);dihydroxide;hydrate?
The IUPAC name of tetrakis(1-methyl-4,5-diphenylimidazole);nickel(2+);dihydroxide;hydrate (CID 139196607) is tetrakis(1-methyl-4,5-diphenylimidazole);nickel(2+);dihydroxide;hydrate.
What is the SMILES notation for tetrakis(1-methyl-4,5-diphenylimidazole);nickel(2+);dihydroxide;hydrate?
The canonical SMILES for tetrakis(1-methyl-4,5-diphenylimidazole);nickel(2+);dihydroxide;hydrate is Cn1cnc(-c2ccccc2)c1-c1ccccc1.Cn1cnc(-c2ccccc2)c1-c1ccccc1.Cn1cnc(-c2ccccc2)c1-c1ccccc1.Cn1cnc(-c2ccccc2)c1-c1ccccc1.O.[Ni+2].[OH-].[OH-].
What is the InChIKey of tetrakis(1-methyl-4,5-diphenylimidazole);nickel(2+);dihydroxide;hydrate?
The InChIKey is OCIDQADBARAZJC-UHFFFAOYSA-L. The full InChI is InChI=1S/4C16H14N2.Ni.3H2O/c4*1-18-12-17-15(13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14;;;;/h4*2-12H,1H3;;3*1H2/q;;;;+2;;;/p-2.
What are the key properties of tetrakis(1-methyl-4,5-diphenylimidazole);nickel(2+);dihydroxide;hydrate?
tetrakis(1-methyl-4,5-diphenylimidazole);nickel(2+);dihydroxide;hydrate has a molecular weight of 1047.93 g/mol, XLogP of 13.84, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-methyl-4,5-diphenylimidazole);nickel(2+);dihydroxide;hydrate is sourced from PubChem (CID 139196607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).