2,4-ditert-butyl-6-[6-(4-tert-butyl-2-phenylphenyl)-4-[3-(4-tert-butyl-2-phenylphenyl)-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol

C83H78N4O — CID 177094052

IUPAC2,4-ditert-butyl-6-[6-(4-tert-butyl-2-phenylphenyl)-4-[3-(4-tert-butyl-2-phenylphenyl)-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol
SMILESCn1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3cc(-c4cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)ccn4)cc(-c4ccc(C(C)(C)C)cc4-c4ccccc4)c3)cc(-c3ccc(C(C)(C)C)cc3-c3ccccc3)cc21
InChIInChI=1S/C83H78N4O/c1-80(2,3)59-36-38-63(68(48-59)52-26-17-14-18-27-52)55-42-56(44-58(43-55)73-46-54(40-41-84-73)65-33-25-34-67-66-32-23-24-35-74(66)87(77(65)67)62-30-21-16-22-31-62)70-45-57(64-39-37-60(81(4,5)6)49-69(64)53-28-19-15-20-29-53)47-75-76(70)85-79(86(75)13)71-50-61(82(7,8)9)51-72(78(71)88)83(10,11)12/h14-51,88H,1-13H3
InChIKeyOSXQMOSQAGSYRN-UHFFFAOYSA-N
MW1147.56 g/mol
LogP22.30
Rot. Bonds9

About 2,4-ditert-butyl-6-[6-(4-tert-butyl-2-phenylphenyl)-4-[3-(4-tert-butyl-2-phenylphenyl)-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol

2,4-ditert-butyl-6-[6-(4-tert-butyl-2-phenylphenyl)-4-[3-(4-tert-butyl-2-phenylphenyl)-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol (PubChem CID 177094052) has the molecular formula C83H78N4O and a molecular weight of 1147.56 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[6-(4-tert-butyl-2-phenylphenyl)-4-[3-(4-tert-butyl-2-phenylphenyl)-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[6-(4-tert-butyl-2-phenylphenyl)-4-[3-(4-tert-butyl-2-phenylphenyl)-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol
PubChem CID177094052
Molecular FormulaC83H78N4O
Molecular Weight1147.56 g/mol
Exact Mass1146.62
IUPAC Name2,4-ditert-butyl-6-[6-(4-tert-butyl-2-phenylphenyl)-4-[3-(4-tert-butyl-2-phenylphenyl)-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol
SMILESCn1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3cc(-c4cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)ccn4)cc(-c4ccc(C(C)(C)C)cc4-c4ccccc4)c3)cc(-c3ccc(C(C)(C)C)cc3-c3ccccc3)cc21
InChIInChI=1S/C83H78N4O/c1-80(2,3)59-36-38-63(68(48-59)52-26-17-14-18-27-52)55-42-56(44-58(43-55)73-46-54(40-41-84-73)65-33-25-34-67-66-32-23-24-35-74(66)87(77(65)67)62-30-21-16-22-31-62)70-45-57(64-39-37-60(81(4,5)6)49-69(64)53-28-19-15-20-29-53)47-75-76(70)85-79(86(75)13)71-50-61(82(7,8)9)51-72(78(71)88)83(10,11)12/h14-51,88H,1-13H3
InChIKeyOSXQMOSQAGSYRN-UHFFFAOYSA-N
XLogP22.30
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.56
LogP ≤ 522.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,4-ditert-butyl-6-[6-(4-tert-butyl-2-phenylphenyl)-4-[3-(4-tert-butyl-2-phenylphenyl)-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol with MolForge

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Related Compounds

2,4-ditert-butyl-6-[6-tert-butyl-4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-(5-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 177094087
2,4-ditert-butyl-6-[1-(3,5-ditert-butylphenyl)-6-phenyl-4-[3-phenyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 177093680
2,4-ditert-butyl-6-[6-(5-tert-butyl-2-phenylphenyl)-1-(3,5-ditert-butylphenyl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 177093882
2,4-ditert-butyl-6-[1-(9-phenylcarbazol-1-yl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 177093879
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
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 177093891
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 153476868
CID 170942437
CID 170942437
2,4-ditert-butyl-6-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 176614220
2-[4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-6-id-1-yl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol;platinum
CID 177093908
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol
CID 140833244
2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864887

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[6-(4-tert-butyl-2-phenylphenyl)-4-[3-(4-tert-butyl-2-phenylphenyl)-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[6-(4-tert-butyl-2-phenylphenyl)-4-[3-(4-tert-butyl-2-phenylphenyl)-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol (CID 177094052) is 2,4-ditert-butyl-6-[6-(4-tert-butyl-2-phenylphenyl)-4-[3-(4-tert-butyl-2-phenylphenyl)-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[6-(4-tert-butyl-2-phenylphenyl)-4-[3-(4-tert-butyl-2-phenylphenyl)-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[6-(4-tert-butyl-2-phenylphenyl)-4-[3-(4-tert-butyl-2-phenylphenyl)-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol is Cn1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3cc(-c4cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)ccn4)cc(-c4ccc(C(C)(C)C)cc4-c4ccccc4)c3)cc(-c3ccc(C(C)(C)C)cc3-c3ccccc3)cc21.
What is the InChIKey of 2,4-ditert-butyl-6-[6-(4-tert-butyl-2-phenylphenyl)-4-[3-(4-tert-butyl-2-phenylphenyl)-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol?
The InChIKey is OSXQMOSQAGSYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H78N4O/c1-80(2,3)59-36-38-63(68(48-59)52-26-17-14-18-27-52)55-42-56(44-58(43-55)73-46-54(40-41-84-73)65-33-25-34-67-66-32-23-24-35-74(66)87(77(65)67)62-30-21-16-22-31-62)70-45-57(64-39-37-60(81(4,5)6)49-69(64)53-28-19-15-20-29-53)47-75-76(70)85-79(86(75)13)71-50-61(82(7,8)9)51-72(78(71)88)83(10,11)12/h14-51,88H,1-13H3.
What are the key properties of 2,4-ditert-butyl-6-[6-(4-tert-butyl-2-phenylphenyl)-4-[3-(4-tert-butyl-2-phenylphenyl)-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol?
2,4-ditert-butyl-6-[6-(4-tert-butyl-2-phenylphenyl)-4-[3-(4-tert-butyl-2-phenylphenyl)-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol has a molecular weight of 1147.56 g/mol, XLogP of 22.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[6-(4-tert-butyl-2-phenylphenyl)-4-[3-(4-tert-butyl-2-phenylphenyl)-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol is sourced from PubChem (CID 177094052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).