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

C61H74N4O — CID 158757323

IUPAC6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)C1=CN(c2cc(Oc3ccc4c5cc(C(C)(C)C)ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)(C)c3ccccc3)c2)CN1c1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C61H74N4O/c1-56(2,3)41-23-26-52-51(34-41)50-25-24-48(37-53(50)65(52)55-35-42(27-28-62-55)57(4,5)6)66-49-33-45(61(16,17)40-21-19-18-20-22-40)32-46(36-49)63-38-54(60(13,14)15)64(39-63)47-30-43(58(7,8)9)29-44(31-47)59(10,11)12/h18-38H,39H2,1-17H3
InChIKeyRSTJMNRNFMUPJQ-UHFFFAOYSA-N
MW879.29 g/mol
LogP16.66
Rot. Bonds7

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

6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 158757323) has the molecular formula C61H74N4O and a molecular weight of 879.29 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID158757323
Molecular FormulaC61H74N4O
Molecular Weight879.29 g/mol
Exact Mass878.59
IUPAC Name6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)C1=CN(c2cc(Oc3ccc4c5cc(C(C)(C)C)ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)(C)c3ccccc3)c2)CN1c1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C61H74N4O/c1-56(2,3)41-23-26-52-51(34-41)50-25-24-48(37-53(50)65(52)55-35-42(27-28-62-55)57(4,5)6)66-49-33-45(61(16,17)40-21-19-18-20-22-40)32-46(36-49)63-38-54(60(13,14)15)64(39-63)47-30-43(58(7,8)9)29-44(31-47)59(10,11)12/h18-38H,39H2,1-17H3
InChIKeyRSTJMNRNFMUPJQ-UHFFFAOYSA-N
XLogP16.66
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.29
LogP ≤ 516.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-1-yl]-5-tert-butylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 161256607
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 161248197
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651487
6-tert-butyl-2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159288294
2-[3-tert-butyl-5-[4-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 158807825
2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159266601
2-[3-tert-butyl-5-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-phenyl-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 160709290
2-[3-[4-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158991535
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
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
6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-diphenylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652385
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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 158757323) is 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)(C)C1=CN(c2cc(Oc3ccc4c5cc(C(C)(C)C)ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)(C)c3ccccc3)c2)CN1c1cc(C(C)(C)C)cc(C(C)(C)C)c1.
What is the InChIKey of 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is RSTJMNRNFMUPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H74N4O/c1-56(2,3)41-23-26-52-51(34-41)50-25-24-48(37-53(50)65(52)55-35-42(27-28-62-55)57(4,5)6)66-49-33-45(61(16,17)40-21-19-18-20-22-40)32-46(36-49)63-38-54(60(13,14)15)64(39-63)47-30-43(58(7,8)9)29-44(31-47)59(10,11)12/h18-38H,39H2,1-17H3.
What are the key properties of 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 879.29 g/mol, XLogP of 16.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 158757323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).