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

C72H74N4O — CID 159831673

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3c(C(C)(C)c4ccccc4)cc(Oc4cccc(N5CN(c6cc(-c7ccccc7)cc(C(C)(C)c7ccccc7)c6)c6cc(C(C)(C)C)c(C(C)(C)C)cc65)c4)cc32)c1
InChIInChI=1S/C72H74N4O/c1-68(2,3)52-36-37-73-66(41-52)76-62-35-24-23-34-58(62)67-61(72(12,13)51-30-21-16-22-31-51)43-57(44-65(67)76)77-56-33-25-32-54(42-56)74-47-75(64-46-60(70(7,8)9)59(45-63(64)74)69(4,5)6)55-39-49(48-26-17-14-18-27-48)38-53(40-55)71(10,11)50-28-19-15-20-29-50/h14-46H,47H2,1-13H3
InChIKeyYXEKIZHYGIUYJT-UHFFFAOYSA-N
MW1011.41 g/mol
LogP19.43
Rot. Bonds10

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole (PubChem CID 159831673) has the molecular formula C72H74N4O and a molecular weight of 1011.41 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole
PubChem CID159831673
Molecular FormulaC72H74N4O
Molecular Weight1011.41 g/mol
Exact Mass1010.59
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3c(C(C)(C)c4ccccc4)cc(Oc4cccc(N5CN(c6cc(-c7ccccc7)cc(C(C)(C)c7ccccc7)c6)c6cc(C(C)(C)C)c(C(C)(C)C)cc65)c4)cc32)c1
InChIInChI=1S/C72H74N4O/c1-68(2,3)52-36-37-73-66(41-52)76-62-35-24-23-34-58(62)67-61(72(12,13)51-30-21-16-22-31-51)43-57(44-65(67)76)77-56-33-25-32-54(42-56)74-47-75(64-46-60(70(7,8)9)59(45-63(64)74)69(4,5)6)55-39-49(48-26-17-14-18-27-48)38-53(40-55)71(10,11)50-28-19-15-20-29-50/h14-46H,47H2,1-13H3
InChIKeyYXEKIZHYGIUYJT-UHFFFAOYSA-N
XLogP19.43
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.41
LogP ≤ 519.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole with MolForge

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Related Compounds

4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 158248852
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4,5-ditert-butyl-2H-imidazol-1-yl]-5-phenylphenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 159064823
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole
CID 158107969
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole
CID 162177244
6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158818639
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 160881164
4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-dimethyl-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 159559368
2-[3-tert-butyl-5-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 160624158
9-(4-tert-butyl-2-pyridinyl)-5-(2-phenylpropan-2-yl)-2-[3-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 158114989
2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159582782
4-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158862809
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 159931893

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole (CID 159831673) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3c(C(C)(C)c4ccccc4)cc(Oc4cccc(N5CN(c6cc(-c7ccccc7)cc(C(C)(C)c7ccccc7)c6)c6cc(C(C)(C)C)c(C(C)(C)C)cc65)c4)cc32)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole?
The InChIKey is YXEKIZHYGIUYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H74N4O/c1-68(2,3)52-36-37-73-66(41-52)76-62-35-24-23-34-58(62)67-61(72(12,13)51-30-21-16-22-31-51)43-57(44-65(67)76)77-56-33-25-32-54(42-56)74-47-75(64-46-60(70(7,8)9)59(45-63(64)74)69(4,5)6)55-39-49(48-26-17-14-18-27-48)38-53(40-55)71(10,11)50-28-19-15-20-29-50/h14-46H,47H2,1-13H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole has a molecular weight of 1011.41 g/mol, XLogP of 19.43, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole is sourced from PubChem (CID 159831673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).