tetrakis(nickel(2+));2-[6-(3-phenylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]phenol;bis(2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]phenol)

C92H60N4Ni4O4 — CID 162077827

IUPACtetrakis(nickel(2+));2-[6-(3-phenylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]phenol;bis(2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]phenol)
SMILESOc1ccccc1-c1[c-]c(-c2[c-]c(-c3ccccn3)ccc2)ccc1.Oc1ccccc1-c1[c-]c(-c2[c-]c(-c3ccccn3)ccc2)ccc1.Oc1ccccc1-c1[c-]c(-c2cccc(-c3[c-]cccc3)n2)ccc1.Oc1ccccc1-c1cccc(-c2[c-]c(-c3[c-]cccc3)ccc2)n1.[Ni+2].[Ni+2].[Ni+2].[Ni+2]
InChIInChI=1S/4C23H15NO.4Ni/c2*25-23-13-2-1-11-21(23)19-9-5-7-17(15-19)18-8-6-10-20(16-18)22-12-3-4-14-24-22;25-23-15-5-4-12-20(23)18-10-6-11-19(16-18)22-14-7-13-21(24-22)17-8-2-1-3-9-17;25-23-15-5-4-12-20(23)22-14-7-13-21(24-22)19-11-6-10-18(16-19)17-8-2-1-3-9-17;;;;/h2*1-14,25H;2*1-8,10-15,25H;;;;/q4*-2;4*+2
InChIKeyASCSBXKQJGBBMY-UHFFFAOYSA-N
MW1520.29 g/mol
LogP21.54
Rot. Bonds12

About tetrakis(nickel(2+));2-[6-(3-phenylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]phenol;bis(2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]phenol)

tetrakis(nickel(2+));2-[6-(3-phenylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]phenol;bis(2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]phenol) (PubChem CID 162077827) has the molecular formula C92H60N4Ni4O4 and a molecular weight of 1520.29 g/mol. Its IUPAC name is tetrakis(nickel(2+));2-[6-(3-phenylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]phenol;bis(2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]phenol).

Molecular Properties

Compound Nametetrakis(nickel(2+));2-[6-(3-phenylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]phenol;bis(2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]phenol)
PubChem CID162077827
Molecular FormulaC92H60N4Ni4O4
Molecular Weight1520.29 g/mol
Exact Mass1516.20
IUPAC Nametetrakis(nickel(2+));2-[6-(3-phenylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]phenol;bis(2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]phenol)
SMILESOc1ccccc1-c1[c-]c(-c2[c-]c(-c3ccccn3)ccc2)ccc1.Oc1ccccc1-c1[c-]c(-c2[c-]c(-c3ccccn3)ccc2)ccc1.Oc1ccccc1-c1[c-]c(-c2cccc(-c3[c-]cccc3)n2)ccc1.Oc1ccccc1-c1cccc(-c2[c-]c(-c3[c-]cccc3)ccc2)n1.[Ni+2].[Ni+2].[Ni+2].[Ni+2]
InChIInChI=1S/4C23H15NO.4Ni/c2*25-23-13-2-1-11-21(23)19-9-5-7-17(15-19)18-8-6-10-20(16-18)22-12-3-4-14-24-22;25-23-15-5-4-12-20(23)18-10-6-11-19(16-18)22-14-7-13-21(24-22)17-8-2-1-3-9-17;25-23-15-5-4-12-20(23)22-14-7-13-21(24-22)19-11-6-10-18(16-19)17-8-2-1-3-9-17;;;;/h2*1-14,25H;2*1-8,10-15,25H;;;;/q4*-2;4*+2
InChIKeyASCSBXKQJGBBMY-UHFFFAOYSA-N
XLogP21.54
TPSA132.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001520.29
LogP ≤ 521.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tetrakis(nickel(2+));2-[6-(3-phenylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]phenol;bis(2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]phenol) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-tert-butyl-5-(5-methyl-2-pyridinyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;carbazol-9-ide;chloronickel;nickel;nickel(2+);bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(9-pyridin-2-yl-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl)phenol
CID 158108413
Bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylphenol;tris(2-phenylpyridine);platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 159017779
2-(3,5-Dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;fluoroform;tetrakis(iridium);3-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
CID 160386373
2-[2,4-difluoro-5-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;diphenyl-[[3-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzene-2-id-1-yl]methyl]phosphanium;2-[3-isocyano-5-(2-pyrrol-1-id-2-ylpropan-2-yl)benzene-6-id-1-yl]-6-pyridin-2-ylpyridine;platinum;tetrakis(platinum(2+));2-[3-[3-[2-(4H-pyridin-4-id-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)benzene-2-id-1-yl]-6-pyridin-2-ylpyridine;2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]benzene-2-id-1-yl]methyl]phenol
CID 160673902
2-(3,5-Dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;fluoroform;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
CID 160925348
2-[3-tert-butyl-5-(5-methyl-2-pyridinyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;bis(2-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);bis(carbazol-9-ide);chloronickel;nickel;bis(nickel(2+));bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(9-pyridin-2-yl-6,10-dihydro-5H-benzo[h]quinolin-10-id-2-yl)phenol
CID 161201932
3,5-Diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;bis(2-phenylpyridine);platinum;platinum(2+);2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 161597647
tetrakis((NE,2Z)-N-[(2-hydroxyphenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);tetrakis(manganese(2+));bis(propan-1-ol);tetraperchlorate;dihydrate
CID 139045128
bis(acetonitrile);bis(manganese(2+));bis(manganese(3+));methanol;tetrakis((NE,2Z)-N-[(2-oxidophenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);diperchlorate
CID 139045140
oxo (N,N'-bis(2-hydroxybenzyl)-N-(methyl)-N'-(pyridylmethyl)-1,3-propanodiamine)-vanadium (IV) hemihydrate
CID 139057303
Dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
CID 139057719
zinc;chloroform;1-[10-(4-hydroxyphenyl)-20-phenyl-15H-porphyrin-5,10,20-triylium-15,21,22,23,24-pentaid-5-yl]naphthalen-2-ol;bis(pyridine)
CID 139092917

Frequently Asked Questions

What is the IUPAC name of tetrakis(nickel(2+));2-[6-(3-phenylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]phenol;bis(2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]phenol)?
The IUPAC name of tetrakis(nickel(2+));2-[6-(3-phenylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]phenol;bis(2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]phenol) (CID 162077827) is tetrakis(nickel(2+));2-[6-(3-phenylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]phenol;bis(2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]phenol).
What is the SMILES notation for tetrakis(nickel(2+));2-[6-(3-phenylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]phenol;bis(2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]phenol)?
The canonical SMILES for tetrakis(nickel(2+));2-[6-(3-phenylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]phenol;bis(2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]phenol) is Oc1ccccc1-c1[c-]c(-c2[c-]c(-c3ccccn3)ccc2)ccc1.Oc1ccccc1-c1[c-]c(-c2[c-]c(-c3ccccn3)ccc2)ccc1.Oc1ccccc1-c1[c-]c(-c2cccc(-c3[c-]cccc3)n2)ccc1.Oc1ccccc1-c1cccc(-c2[c-]c(-c3[c-]cccc3)ccc2)n1.[Ni+2].[Ni+2].[Ni+2].[Ni+2].
What is the InChIKey of tetrakis(nickel(2+));2-[6-(3-phenylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]phenol;bis(2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]phenol)?
The InChIKey is ASCSBXKQJGBBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C23H15NO.4Ni/c2*25-23-13-2-1-11-21(23)19-9-5-7-17(15-19)18-8-6-10-20(16-18)22-12-3-4-14-24-22;25-23-15-5-4-12-20(23)18-10-6-11-19(16-18)22-14-7-13-21(24-22)17-8-2-1-3-9-17;25-23-15-5-4-12-20(23)22-14-7-13-21(24-22)19-11-6-10-18(16-19)17-8-2-1-3-9-17;;;;/h2*1-14,25H;2*1-8,10-15,25H;;;;/q4*-2;4*+2.
What are the key properties of tetrakis(nickel(2+));2-[6-(3-phenylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]phenol;bis(2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]phenol)?
tetrakis(nickel(2+));2-[6-(3-phenylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]phenol;bis(2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]phenol) has a molecular weight of 1520.29 g/mol, XLogP of 21.54, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(nickel(2+));2-[6-(3-phenylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]phenol;bis(2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]phenol) is sourced from PubChem (CID 162077827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).