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

C62H68N4O — CID 167381600

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]carbazole
SMILESCc1cccc(C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3cc(-c4ccccc4)cc(C(C)(C)C)c3)C(C(C)(C)C)=C2C(C)(C)C)c1
InChIInChI=1S/C62H68N4O/c1-40-21-20-22-41(2)56(40)44-33-48(37-50(34-44)67-49-27-28-52-51-25-18-19-26-53(51)66(54(52)38-49)55-36-45(29-30-63-55)59(3,4)5)65-39-64(57(61(9,10)11)58(65)62(12,13)14)47-32-43(42-23-16-15-17-24-42)31-46(35-47)60(6,7)8/h15-38H,39H2,1-14H3
InChIKeyPQEHSNYXTGMMBQ-UHFFFAOYSA-N
MW885.25 g/mol
LogP17.10
Rot. Bonds7

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]carbazole (PubChem CID 167381600) has the molecular formula C62H68N4O and a molecular weight of 885.25 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]carbazole
PubChem CID167381600
Molecular FormulaC62H68N4O
Molecular Weight885.25 g/mol
Exact Mass884.54
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]carbazole
SMILESCc1cccc(C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3cc(-c4ccccc4)cc(C(C)(C)C)c3)C(C(C)(C)C)=C2C(C)(C)C)c1
InChIInChI=1S/C62H68N4O/c1-40-21-20-22-41(2)56(40)44-33-48(37-50(34-44)67-49-27-28-52-51-25-18-19-26-53(51)66(54(52)38-49)55-36-45(29-30-63-55)59(3,4)5)65-39-64(57(61(9,10)11)58(65)62(12,13)14)47-32-43(42-23-16-15-17-24-42)31-46(35-47)60(6,7)8/h15-38H,39H2,1-14H3
InChIKeyPQEHSNYXTGMMBQ-UHFFFAOYSA-N
XLogP17.10
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.25
LogP ≤ 517.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole
CID 155652409
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651546
2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 160769614
2-[3-tert-butyl-5-[3-(3,5-diphenylphenyl)-4,5-dimethyl-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651750
2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]-5-(3-methylpentan-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651139
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-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2,4,6-trimethylphenyl)carbazole
CID 155652710
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
2-[3-tert-butyl-5-[4,5-ditert-butyl-3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 161253412
2-[3-tert-butyl-5-[4,5-ditert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161189296
2-[3-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652395
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)-4-phenylphenyl]-2H-benzimidazol-1-yl]-5-(2-methylphenyl)phenoxy]carbazole
CID 172530527

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]carbazole (CID 167381600) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]carbazole is Cc1cccc(C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3cc(-c4ccccc4)cc(C(C)(C)C)c3)C(C(C)(C)C)=C2C(C)(C)C)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]carbazole?
The InChIKey is PQEHSNYXTGMMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H68N4O/c1-40-21-20-22-41(2)56(40)44-33-48(37-50(34-44)67-49-27-28-52-51-25-18-19-26-53(51)66(54(52)38-49)55-36-45(29-30-63-55)59(3,4)5)65-39-64(57(61(9,10)11)58(65)62(12,13)14)47-32-43(42-23-16-15-17-24-42)31-46(35-47)60(6,7)8/h15-38H,39H2,1-14H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]carbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]carbazole has a molecular weight of 885.25 g/mol, XLogP of 17.10, 7 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-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]carbazole is sourced from PubChem (CID 167381600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).