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

C66H68N4O — CID 157334163

IUPAC2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)c1cccc(C(C)C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2C=CN(c3cc(C(C)(C)c4ccccc4)cc(C(C)(C)c4ccccc4)c3)C2)c1
InChIInChI=1S/C66H68N4O/c1-44(2)56-26-20-27-57(45(3)4)63(56)46-35-52(41-55(36-46)71-54-29-30-59-58-25-18-19-28-60(58)70(61(59)42-54)62-40-49(31-32-67-62)64(5,6)7)68-33-34-69(43-68)53-38-50(65(8,9)47-21-14-12-15-22-47)37-51(39-53)66(10,11)48-23-16-13-17-24-48/h12-42,44-45H,43H2,1-11H3
InChIKeyOQTKMDXZWVSWPM-UHFFFAOYSA-N
MW933.30 g/mol
LogP17.59
Rot. Bonds12

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

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 157334163) has the molecular formula C66H68N4O and a molecular weight of 933.30 g/mol. Its IUPAC name is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID157334163
Molecular FormulaC66H68N4O
Molecular Weight933.30 g/mol
Exact Mass932.54
IUPAC Name2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)c1cccc(C(C)C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2C=CN(c3cc(C(C)(C)c4ccccc4)cc(C(C)(C)c4ccccc4)c3)C2)c1
InChIInChI=1S/C66H68N4O/c1-44(2)56-26-20-27-57(45(3)4)63(56)46-35-52(41-55(36-46)71-54-29-30-59-58-25-18-19-28-60(58)70(61(59)42-54)62-40-49(31-32-67-62)64(5,6)7)68-33-34-69(43-68)53-38-50(65(8,9)47-21-14-12-15-22-47)37-51(39-53)66(10,11)48-23-16-13-17-24-48/h12-42,44-45H,43H2,1-11H3
InChIKeyOQTKMDXZWVSWPM-UHFFFAOYSA-N
XLogP17.59
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.30
LogP ≤ 517.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole
CID 155652369
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
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
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651517
2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 160699173
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158430502
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
2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 158904656
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-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161047690
2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 162248377
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 157334163) is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)c1cccc(C(C)C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2C=CN(c3cc(C(C)(C)c4ccccc4)cc(C(C)(C)c4ccccc4)c3)C2)c1.
What is the InChIKey of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is OQTKMDXZWVSWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H68N4O/c1-44(2)56-26-20-27-57(45(3)4)63(56)46-35-52(41-55(36-46)71-54-29-30-59-58-25-18-19-28-60(58)70(61(59)42-54)62-40-49(31-32-67-62)64(5,6)7)68-33-34-69(43-68)53-38-50(65(8,9)47-21-14-12-15-22-47)37-51(39-53)66(10,11)48-23-16-13-17-24-48/h12-42,44-45H,43H2,1-11H3.
What are the key properties of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 933.30 g/mol, XLogP of 17.59, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 157334163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).