2-[6-[3-(4-tert-butylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[3,5-ditert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel

C114H104N8Ni4O4-4 — CID 157461947

IUPAC2-[6-[3-(4-tert-butylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[3,5-ditert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel
SMILESCC(C)(C)c1cc(-c2[c-]c(-c3ccccn3)ccc2)nc(-c2ccccc2O)c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc(-c3ccccc3O)n2)c1.CC(C)(C)c1cc(C(C)(C)C)c(-c2ccccc2O)nc1-c1[c-]c(-c2ccccn2)ccc1.CC(C)(C)c1ccc(-c2cc(-c3ccccn3)[c-]c(-c3cccc(-c4ccccc4O)n3)c2)cc1.[Ni].[Ni].[Ni].[Ni]
InChIInChI=1S/C32H27N2O.C30H31N2O.2C26H23N2O.4Ni/c1-32(2,3)26-16-14-22(15-17-26)23-19-24(28-10-6-7-18-33-28)21-25(20-23)29-11-8-12-30(34-29)27-9-4-5-13-31(27)35;1-29(2,3)23-19-24(30(4,5)6)28(22-14-7-8-16-26(22)33)32-27(23)21-13-11-12-20(18-21)25-15-9-10-17-31-25;1-26(2,3)20-16-23(28-24(17-20)21-11-4-5-13-25(21)29)19-10-8-9-18(15-19)22-12-6-7-14-27-22;1-26(2,3)20-16-18(22-10-6-7-14-27-22)15-19(17-20)23-11-8-12-24(28-23)21-9-4-5-13-25(21)29;;;;/h4-20,35H,1-3H3;7-17,19,33H,1-6H3;2*4-14,16-17,29H,1-3H3;;;;/q4*-1;;;;
InChIKeyZCJHWWBHGIUIPF-UHFFFAOYSA-N
MW1884.91 g/mol
LogP28.08
Rot. Bonds13

About 2-[6-[3-(4-tert-butylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[3,5-ditert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel

2-[6-[3-(4-tert-butylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[3,5-ditert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel (PubChem CID 157461947) has the molecular formula C114H104N8Ni4O4-4 and a molecular weight of 1884.91 g/mol. Its IUPAC name is 2-[6-[3-(4-tert-butylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[3,5-ditert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel.

Molecular Properties

Compound Name2-[6-[3-(4-tert-butylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[3,5-ditert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel
PubChem CID157461947
Molecular FormulaC114H104N8Ni4O4-4
Molecular Weight1884.91 g/mol
Exact Mass1880.56
IUPAC Name2-[6-[3-(4-tert-butylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[3,5-ditert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel
SMILESCC(C)(C)c1cc(-c2[c-]c(-c3ccccn3)ccc2)nc(-c2ccccc2O)c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc(-c3ccccc3O)n2)c1.CC(C)(C)c1cc(C(C)(C)C)c(-c2ccccc2O)nc1-c1[c-]c(-c2ccccn2)ccc1.CC(C)(C)c1ccc(-c2cc(-c3ccccn3)[c-]c(-c3cccc(-c4ccccc4O)n3)c2)cc1.[Ni].[Ni].[Ni].[Ni]
InChIInChI=1S/C32H27N2O.C30H31N2O.2C26H23N2O.4Ni/c1-32(2,3)26-16-14-22(15-17-26)23-19-24(28-10-6-7-18-33-28)21-25(20-23)29-11-8-12-30(34-29)27-9-4-5-13-31(27)35;1-29(2,3)23-19-24(30(4,5)6)28(22-14-7-8-16-26(22)33)32-27(23)21-13-11-12-20(18-21)25-15-9-10-17-31-25;1-26(2,3)20-16-23(28-24(17-20)21-11-4-5-13-25(21)29)19-10-8-9-18(15-19)22-12-6-7-14-27-22;1-26(2,3)20-16-18(22-10-6-7-14-27-22)15-19(17-20)23-11-8-12-24(28-23)21-9-4-5-13-25(21)29;;;;/h4-20,35H,1-3H3;7-17,19,33H,1-6H3;2*4-14,16-17,29H,1-3H3;;;;/q4*-1;;;;
InChIKeyZCJHWWBHGIUIPF-UHFFFAOYSA-N
XLogP28.08
TPSA184.04 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001884.91
LogP ≤ 528.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[6-[3-(4-tert-butylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[3,5-ditert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel with MolForge

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Launch Full Analysis

Related Compounds

2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);5-methyl-2-phenylpyridine;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 157253808
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);1-methyl-4-phenylbenzene-5-ide;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 157533924
CID 157832357
CID 157832357
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
CID 158404317
CID 158404317
CID 158443916
CID 158443916
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-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;4-hydroxypent-3-en-2-one;bis(iridium);methane;5-methyl-2-phenylpyridine;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 159132405
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;N,N-diphenyl-2-phenylpyridin-4-amine;4-hydroxypent-3-en-2-one;tris(iridium);5-methyl-2-phenylpyridine;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 159992764
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
CID 160397836
CID 160397836
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(4-tert-butylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[3,5-ditert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel?
The IUPAC name of 2-[6-[3-(4-tert-butylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[3,5-ditert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel (CID 157461947) is 2-[6-[3-(4-tert-butylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[3,5-ditert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel.
What is the SMILES notation for 2-[6-[3-(4-tert-butylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[3,5-ditert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel?
The canonical SMILES for 2-[6-[3-(4-tert-butylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[3,5-ditert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel is CC(C)(C)c1cc(-c2[c-]c(-c3ccccn3)ccc2)nc(-c2ccccc2O)c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc(-c3ccccc3O)n2)c1.CC(C)(C)c1cc(C(C)(C)C)c(-c2ccccc2O)nc1-c1[c-]c(-c2ccccn2)ccc1.CC(C)(C)c1ccc(-c2cc(-c3ccccn3)[c-]c(-c3cccc(-c4ccccc4O)n3)c2)cc1.[Ni].[Ni].[Ni].[Ni].
What is the InChIKey of 2-[6-[3-(4-tert-butylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[3,5-ditert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel?
The InChIKey is ZCJHWWBHGIUIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N2O.C30H31N2O.2C26H23N2O.4Ni/c1-32(2,3)26-16-14-22(15-17-26)23-19-24(28-10-6-7-18-33-28)21-25(20-23)29-11-8-12-30(34-29)27-9-4-5-13-31(27)35;1-29(2,3)23-19-24(30(4,5)6)28(22-14-7-8-16-26(22)33)32-27(23)21-13-11-12-20(18-21)25-15-9-10-17-31-25;1-26(2,3)20-16-23(28-24(17-20)21-11-4-5-13-25(21)29)19-10-8-9-18(15-19)22-12-6-7-14-27-22;1-26(2,3)20-16-18(22-10-6-7-14-27-22)15-19(17-20)23-11-8-12-24(28-23)21-9-4-5-13-25(21)29;;;;/h4-20,35H,1-3H3;7-17,19,33H,1-6H3;2*4-14,16-17,29H,1-3H3;;;;/q4*-1;;;;.
What are the key properties of 2-[6-[3-(4-tert-butylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[3,5-ditert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel?
2-[6-[3-(4-tert-butylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[3,5-ditert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel has a molecular weight of 1884.91 g/mol, XLogP of 28.08, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(4-tert-butylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-2-pyridinyl]phenol;2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;2-[6-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-2-pyridinyl]phenol;2-[3,5-ditert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel is sourced from PubChem (CID 157461947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).