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

C66H60N4O — CID 159884524

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccc(C(C)(C)c4ccccc4)cc3c3ccc(Oc4cc(-c5ccccc5)cc(N5C=CN(c6cc(-c7ccccc7)cc(C(C)(C)c7ccccc7)c6)C5)c4)cc32)c1
InChIInChI=1S/C66H60N4O/c1-64(2,3)52-32-33-67-63(42-52)70-61-31-28-53(65(4,5)50-24-16-10-17-25-50)41-60(61)59-30-29-57(44-62(59)70)71-58-39-49(47-22-14-9-15-23-47)38-56(43-58)69-35-34-68(45-69)55-37-48(46-20-12-8-13-21-46)36-54(40-55)66(6,7)51-26-18-11-19-27-51/h8-44H,45H2,1-7H3
InChIKeyBNZJQMUUSTZNQX-UHFFFAOYSA-N
MW925.23 g/mol
LogP17.01
Rot. Bonds11

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole (PubChem CID 159884524) has the molecular formula C66H60N4O and a molecular weight of 925.23 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole
PubChem CID159884524
Molecular FormulaC66H60N4O
Molecular Weight925.23 g/mol
Exact Mass924.48
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccc(C(C)(C)c4ccccc4)cc3c3ccc(Oc4cc(-c5ccccc5)cc(N5C=CN(c6cc(-c7ccccc7)cc(C(C)(C)c7ccccc7)c6)C5)c4)cc32)c1
InChIInChI=1S/C66H60N4O/c1-64(2,3)52-32-33-67-63(42-52)70-61-31-28-53(65(4,5)50-24-16-10-17-25-50)41-60(61)59-30-29-57(44-62(59)70)71-58-39-49(47-22-14-9-15-23-47)38-56(43-58)69-35-34-68(45-69)55-37-48(46-20-12-8-13-21-46)36-54(40-55)66(6,7)51-26-18-11-19-27-51/h8-44H,45H2,1-7H3
InChIKeyBNZJQMUUSTZNQX-UHFFFAOYSA-N
XLogP17.01
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.23
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 158982899
9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]carbazole
CID 158982897
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 161137639
6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 157050579
2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-phenyl-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 161079729
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
6-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 158248853
2-[3-[3-(3-tert-butylphenyl)-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 159004416
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
2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 161380882
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161448789
2-tert-butyl-7-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158502494

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole (CID 159884524) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole is CC(C)(C)c1ccnc(-n2c3ccc(C(C)(C)c4ccccc4)cc3c3ccc(Oc4cc(-c5ccccc5)cc(N5C=CN(c6cc(-c7ccccc7)cc(C(C)(C)c7ccccc7)c6)C5)c4)cc32)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole?
The InChIKey is BNZJQMUUSTZNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H60N4O/c1-64(2,3)52-32-33-67-63(42-52)70-61-31-28-53(65(4,5)50-24-16-10-17-25-50)41-60(61)59-30-29-57(44-62(59)70)71-58-39-49(47-22-14-9-15-23-47)38-56(43-58)69-35-34-68(45-69)55-37-48(46-20-12-8-13-21-46)36-54(40-55)66(6,7)51-26-18-11-19-27-51/h8-44H,45H2,1-7H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole has a molecular weight of 925.23 g/mol, XLogP of 17.01, 11 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-phenyl-5-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole is sourced from PubChem (CID 159884524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).