2,6-ditert-butyl-4-[4-[3-[6-[3-[2-(2,6-ditert-butyl-3-hydroxy-4-pyridinyl)-1-methylbenzimidazol-4-yl]-5-methylphenyl]pyrimidin-4-yl]-5-methylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol

C60H66N8O2 — CID 176622985

IUPAC2,6-ditert-butyl-4-[4-[3-[6-[3-[2-(2,6-ditert-butyl-3-hydroxy-4-pyridinyl)-1-methylbenzimidazol-4-yl]-5-methylphenyl]pyrimidin-4-yl]-5-methylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol
SMILESCc1cc(-c2cc(-c3cc(C)cc(-c4cccc5c4nc(-c4cc(C(C)(C)C)nc(C(C)(C)C)c4O)n5C)c3)ncn2)cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)nc(C(C)(C)C)c2O)n3C)c1
InChIInChI=1S/C60H66N8O2/c1-33-23-35(39-19-17-21-45-49(39)65-55(67(45)15)41-29-47(57(3,4)5)63-53(51(41)69)59(9,10)11)27-37(25-33)43-31-44(62-32-61-43)38-26-34(2)24-36(28-38)40-20-18-22-46-50(40)66-56(68(46)16)42-30-48(58(6,7)8)64-54(52(42)70)60(12,13)14/h17-32,69-70H,1-16H3
InChIKeyOVUXCLQOOLCJAC-UHFFFAOYSA-N
MW931.24 g/mol
LogP14.26
Rot. Bonds6

About 2,6-ditert-butyl-4-[4-[3-[6-[3-[2-(2,6-ditert-butyl-3-hydroxy-4-pyridinyl)-1-methylbenzimidazol-4-yl]-5-methylphenyl]pyrimidin-4-yl]-5-methylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol

2,6-ditert-butyl-4-[4-[3-[6-[3-[2-(2,6-ditert-butyl-3-hydroxy-4-pyridinyl)-1-methylbenzimidazol-4-yl]-5-methylphenyl]pyrimidin-4-yl]-5-methylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol (PubChem CID 176622985) has the molecular formula C60H66N8O2 and a molecular weight of 931.24 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[4-[3-[6-[3-[2-(2,6-ditert-butyl-3-hydroxy-4-pyridinyl)-1-methylbenzimidazol-4-yl]-5-methylphenyl]pyrimidin-4-yl]-5-methylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[4-[3-[6-[3-[2-(2,6-ditert-butyl-3-hydroxy-4-pyridinyl)-1-methylbenzimidazol-4-yl]-5-methylphenyl]pyrimidin-4-yl]-5-methylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol
PubChem CID176622985
Molecular FormulaC60H66N8O2
Molecular Weight931.24 g/mol
Exact Mass930.53
IUPAC Name2,6-ditert-butyl-4-[4-[3-[6-[3-[2-(2,6-ditert-butyl-3-hydroxy-4-pyridinyl)-1-methylbenzimidazol-4-yl]-5-methylphenyl]pyrimidin-4-yl]-5-methylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol
SMILESCc1cc(-c2cc(-c3cc(C)cc(-c4cccc5c4nc(-c4cc(C(C)(C)C)nc(C(C)(C)C)c4O)n5C)c3)ncn2)cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)nc(C(C)(C)C)c2O)n3C)c1
InChIInChI=1S/C60H66N8O2/c1-33-23-35(39-19-17-21-45-49(39)65-55(67(45)15)41-29-47(57(3,4)5)63-53(51(41)69)59(9,10)11)27-37(25-33)43-31-44(62-32-61-43)38-26-34(2)24-36(28-38)40-20-18-22-46-50(40)66-56(68(46)16)42-30-48(58(6,7)8)64-54(52(42)70)60(12,13)14/h17-32,69-70H,1-16H3
InChIKeyOVUXCLQOOLCJAC-UHFFFAOYSA-N
XLogP14.26
TPSA127.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.24
LogP ≤ 514.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2,6-ditert-butyl-4-[4-[3-[6-[3-[2-(2,6-ditert-butyl-3-hydroxy-4-pyridinyl)-1-methylbenzimidazol-4-yl]-5-methylphenyl]pyrimidin-4-yl]-5-methylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

2,4-ditert-butyl-6-[1-methyl-4-[3-methyl-5-(4-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140931921
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-methyl-4-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]phenol
CID 140931879
2-[7-[3-[6-[3-[2-(2-hydroxyphenyl)-3-methylimidazo[4,5-c]pyridin-7-yl]phenyl]pyrimidin-4-yl]phenyl]-3-methylimidazo[4,5-c]pyridin-2-yl]phenol
CID 176622987
4,6-ditert-butyl-2-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140865247
2,4-ditert-butyl-6-[1-methyl-4-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140931695
2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140832113
2,4-ditert-butyl-6-[1-methyl-4-[3-(2-phenylpropan-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 164743078
5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol
CID 140864201
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[3-[1-(4-tert-butyl-2-phenylphenyl)-2-(2-hydroxyphenyl)benzimidazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]benzimidazol-2-yl]phenol
CID 176622942
4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol
CID 140864701
4-[4-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol
CID 140865089
2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]phenyl]-1-[3-(2-hydroxypropan-2-yl)-5-phenylphenyl]benzimidazol-2-yl]-4,6-dimethylphenol
CID 167355129

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[4-[3-[6-[3-[2-(2,6-ditert-butyl-3-hydroxy-4-pyridinyl)-1-methylbenzimidazol-4-yl]-5-methylphenyl]pyrimidin-4-yl]-5-methylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol?
The IUPAC name of 2,6-ditert-butyl-4-[4-[3-[6-[3-[2-(2,6-ditert-butyl-3-hydroxy-4-pyridinyl)-1-methylbenzimidazol-4-yl]-5-methylphenyl]pyrimidin-4-yl]-5-methylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol (CID 176622985) is 2,6-ditert-butyl-4-[4-[3-[6-[3-[2-(2,6-ditert-butyl-3-hydroxy-4-pyridinyl)-1-methylbenzimidazol-4-yl]-5-methylphenyl]pyrimidin-4-yl]-5-methylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol.
What is the SMILES notation for 2,6-ditert-butyl-4-[4-[3-[6-[3-[2-(2,6-ditert-butyl-3-hydroxy-4-pyridinyl)-1-methylbenzimidazol-4-yl]-5-methylphenyl]pyrimidin-4-yl]-5-methylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol?
The canonical SMILES for 2,6-ditert-butyl-4-[4-[3-[6-[3-[2-(2,6-ditert-butyl-3-hydroxy-4-pyridinyl)-1-methylbenzimidazol-4-yl]-5-methylphenyl]pyrimidin-4-yl]-5-methylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol is Cc1cc(-c2cc(-c3cc(C)cc(-c4cccc5c4nc(-c4cc(C(C)(C)C)nc(C(C)(C)C)c4O)n5C)c3)ncn2)cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)nc(C(C)(C)C)c2O)n3C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-[4-[3-[6-[3-[2-(2,6-ditert-butyl-3-hydroxy-4-pyridinyl)-1-methylbenzimidazol-4-yl]-5-methylphenyl]pyrimidin-4-yl]-5-methylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol?
The InChIKey is OVUXCLQOOLCJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H66N8O2/c1-33-23-35(39-19-17-21-45-49(39)65-55(67(45)15)41-29-47(57(3,4)5)63-53(51(41)69)59(9,10)11)27-37(25-33)43-31-44(62-32-61-43)38-26-34(2)24-36(28-38)40-20-18-22-46-50(40)66-56(68(46)16)42-30-48(58(6,7)8)64-54(52(42)70)60(12,13)14/h17-32,69-70H,1-16H3.
What are the key properties of 2,6-ditert-butyl-4-[4-[3-[6-[3-[2-(2,6-ditert-butyl-3-hydroxy-4-pyridinyl)-1-methylbenzimidazol-4-yl]-5-methylphenyl]pyrimidin-4-yl]-5-methylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol?
2,6-ditert-butyl-4-[4-[3-[6-[3-[2-(2,6-ditert-butyl-3-hydroxy-4-pyridinyl)-1-methylbenzimidazol-4-yl]-5-methylphenyl]pyrimidin-4-yl]-5-methylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol has a molecular weight of 931.24 g/mol, XLogP of 14.26, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[4-[3-[6-[3-[2-(2,6-ditert-butyl-3-hydroxy-4-pyridinyl)-1-methylbenzimidazol-4-yl]-5-methylphenyl]pyrimidin-4-yl]-5-methylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol is sourced from PubChem (CID 176622985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).