2-[4-[3-[4-[9-[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-2-yl]-2-pyridinyl]-5-tert-butylphenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol

C80H80N4O — CID 177093914

IUPAC2-[4-[3-[4-[9-[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-2-yl]-2-pyridinyl]-5-tert-butylphenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-n3c4ccccc4c4ccc(-c5ccnc(-c6cc(-c7cccc8c7nc(-c7ccccc7O)n8-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cc(C(C)(C)C)c6)c5)cc43)c2)cc1
InChIInChI=1S/C80H80N4O/c1-76(2,3)58-32-27-50(28-33-58)54-39-55(51-29-34-59(35-30-51)77(4,5)6)44-63(43-54)83-70-24-18-16-21-66(70)67-36-31-52(46-72(67)83)53-37-38-81-69(45-53)57-40-56(41-60(42-57)78(7,8)9)65-23-20-25-71-74(65)82-75(68-22-17-19-26-73(68)85)84(71)64-48-61(79(10,11)12)47-62(49-64)80(13,14)15/h16-49,85H,1-15H3
InChIKeyQIEXUSNKVFBMHY-UHFFFAOYSA-N
MW1113.55 g/mol
LogP21.71
Rot. Bonds8

About 2-[4-[3-[4-[9-[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-2-yl]-2-pyridinyl]-5-tert-butylphenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol

2-[4-[3-[4-[9-[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-2-yl]-2-pyridinyl]-5-tert-butylphenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol (PubChem CID 177093914) has the molecular formula C80H80N4O and a molecular weight of 1113.55 g/mol. Its IUPAC name is 2-[4-[3-[4-[9-[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-2-yl]-2-pyridinyl]-5-tert-butylphenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[3-[4-[9-[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-2-yl]-2-pyridinyl]-5-tert-butylphenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
PubChem CID177093914
Molecular FormulaC80H80N4O
Molecular Weight1113.55 g/mol
Exact Mass1112.63
IUPAC Name2-[4-[3-[4-[9-[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-2-yl]-2-pyridinyl]-5-tert-butylphenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-n3c4ccccc4c4ccc(-c5ccnc(-c6cc(-c7cccc8c7nc(-c7ccccc7O)n8-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cc(C(C)(C)C)c6)c5)cc43)c2)cc1
InChIInChI=1S/C80H80N4O/c1-76(2,3)58-32-27-50(28-33-58)54-39-55(51-29-34-59(35-30-51)77(4,5)6)44-63(43-54)83-70-24-18-16-21-66(70)67-36-31-52(46-72(67)83)53-37-38-81-69(45-53)57-40-56(41-60(42-57)78(7,8)9)65-23-20-25-71-74(65)82-75(68-22-17-19-26-73(68)85)84(71)64-48-61(79(10,11)12)47-62(49-64)80(13,14)15/h16-49,85H,1-15H3
InChIKeyQIEXUSNKVFBMHY-UHFFFAOYSA-N
XLogP21.71
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001113.55
LogP ≤ 521.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-[4-[9-[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-2-yl]-2-pyridinyl]-5-tert-butylphenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol with MolForge

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Related Compounds

2-[4-[3-tert-butyl-5-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
CID 177093990
2-[4-[3-tert-butyl-5-[4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
CID 177093805
2-[4-[3-tert-butyl-5-[4-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
CID 177093698
2-[4-[3-[4-[9-[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-1-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol;platinum
CID 177093880
2-[1-(3-tert-butyl-5-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-dimethylphenol
CID 153478886
2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-(3,4-dimethyl-5-phenylphenyl)benzimidazol-2-yl]phenol
CID 163682700
2-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]phenyl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol
CID 153481026
2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-1-(3-methyl-5-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol
CID 163761780
2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol
CID 153476525
2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 153476872
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-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]-1-(3-methyl-5-phenylphenyl)benzimidazol-2-yl]phenol
CID 163675217

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-[9-[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-2-yl]-2-pyridinyl]-5-tert-butylphenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol?
The IUPAC name of 2-[4-[3-[4-[9-[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-2-yl]-2-pyridinyl]-5-tert-butylphenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol (CID 177093914) is 2-[4-[3-[4-[9-[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-2-yl]-2-pyridinyl]-5-tert-butylphenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[4-[3-[4-[9-[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-2-yl]-2-pyridinyl]-5-tert-butylphenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol?
The canonical SMILES for 2-[4-[3-[4-[9-[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-2-yl]-2-pyridinyl]-5-tert-butylphenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol is CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-n3c4ccccc4c4ccc(-c5ccnc(-c6cc(-c7cccc8c7nc(-c7ccccc7O)n8-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cc(C(C)(C)C)c6)c5)cc43)c2)cc1.
What is the InChIKey of 2-[4-[3-[4-[9-[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-2-yl]-2-pyridinyl]-5-tert-butylphenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol?
The InChIKey is QIEXUSNKVFBMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H80N4O/c1-76(2,3)58-32-27-50(28-33-58)54-39-55(51-29-34-59(35-30-51)77(4,5)6)44-63(43-54)83-70-24-18-16-21-66(70)67-36-31-52(46-72(67)83)53-37-38-81-69(45-53)57-40-56(41-60(42-57)78(7,8)9)65-23-20-25-71-74(65)82-75(68-22-17-19-26-73(68)85)84(71)64-48-61(79(10,11)12)47-62(49-64)80(13,14)15/h16-49,85H,1-15H3.
What are the key properties of 2-[4-[3-[4-[9-[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-2-yl]-2-pyridinyl]-5-tert-butylphenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol?
2-[4-[3-[4-[9-[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-2-yl]-2-pyridinyl]-5-tert-butylphenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol has a molecular weight of 1113.55 g/mol, XLogP of 21.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-[9-[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-2-yl]-2-pyridinyl]-5-tert-butylphenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 177093914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).