6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole

C71H72N4O — CID 164727384

IUPAC6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole
SMILESCc1cc(-n2c3ccc(-c4ccc(C(C)(C)C)cc4)cc3c3ccc(Oc4cccc(N5CN(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccc(-c7ccccc7)cc65)c4)cc32)ncc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C71H72N4O/c1-46-36-67(72-44-62(46)49-24-30-53(31-25-49)69(5,6)7)75-63-34-26-50(48-22-28-52(29-23-48)68(2,3)4)37-61(63)60-33-32-59(43-65(60)75)76-58-21-17-20-56(42-58)73-45-74(57-40-54(70(8,9)10)39-55(41-57)71(11,12)13)64-35-27-51(38-66(64)73)47-18-15-14-16-19-47/h14-44H,45H2,1-13H3
InChIKeyYEPQWEYIKYBLOK-UHFFFAOYSA-N
MW997.38 g/mol
LogP19.72
Rot. Bonds8

About 6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole

6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 164727384) has the molecular formula C71H72N4O and a molecular weight of 997.38 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole
PubChem CID164727384
Molecular FormulaC71H72N4O
Molecular Weight997.38 g/mol
Exact Mass996.57
IUPAC Name6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole
SMILESCc1cc(-n2c3ccc(-c4ccc(C(C)(C)C)cc4)cc3c3ccc(Oc4cccc(N5CN(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccc(-c7ccccc7)cc65)c4)cc32)ncc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C71H72N4O/c1-46-36-67(72-44-62(46)49-24-30-53(31-25-49)69(5,6)7)75-63-34-26-50(48-22-28-52(29-23-48)68(2,3)4)37-61(63)60-33-32-59(43-65(60)75)76-58-21-17-20-56(42-58)73-45-74(57-40-54(70(8,9)10)39-55(41-57)71(11,12)13)64-35-27-51(38-66(64)73)47-18-15-14-16-19-47/h14-44H,45H2,1-13H3
InChIKeyYEPQWEYIKYBLOK-UHFFFAOYSA-N
XLogP19.72
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.38
LogP ≤ 519.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 164726844
2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole
CID 168780267
6-(4-tert-butylphenyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)carbazole
CID 168780708
2-[3-[3-(4-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-9-[4-methyl-5-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]carbazole
CID 164726988
2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]-6-(2,6-dimethylphenyl)-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]carbazole
CID 164727240
2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-6-phenylcarbazole
CID 164726858
9-[5-(4-dibenzofuran-3-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 164726941
9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 164727386
9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 168780514
2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(1,1-diphenylethyl)-2-pyridinyl]-6-phenylcarbazole
CID 158433683
[3-[6-[2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-methyl-3-pyridinyl]phenyl]-triphenylsilane
CID 164726825
2-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 155652686

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole?
The IUPAC name of 6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 164727384) is 6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole.
What is the SMILES notation for 6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole?
The canonical SMILES for 6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole is Cc1cc(-n2c3ccc(-c4ccc(C(C)(C)C)cc4)cc3c3ccc(Oc4cccc(N5CN(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccc(-c7ccccc7)cc65)c4)cc32)ncc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole?
The InChIKey is YEPQWEYIKYBLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H72N4O/c1-46-36-67(72-44-62(46)49-24-30-53(31-25-49)69(5,6)7)75-63-34-26-50(48-22-28-52(29-23-48)68(2,3)4)37-61(63)60-33-32-59(43-65(60)75)76-58-21-17-20-56(42-58)73-45-74(57-40-54(70(8,9)10)39-55(41-57)71(11,12)13)64-35-27-51(38-66(64)73)47-18-15-14-16-19-47/h14-44H,45H2,1-13H3.
What are the key properties of 6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole?
6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 997.38 g/mol, XLogP of 19.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 164727384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).