9-[1-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]imidazol-4-yl]carbazole

C36H30N4O2 — CID 158386761

IUPAC9-[1-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]imidazol-4-yl]carbazole
SMILESCC(C)(C)c1cc(Oc2cccc(Oc3ccccn3)c2)cc(-n2cnc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C36H30N4O2/c1-36(2,3)25-19-26(21-29(20-25)41-27-11-10-12-28(22-27)42-35-17-8-9-18-37-35)39-23-34(38-24-39)40-32-15-6-4-13-30(32)31-14-5-7-16-33(31)40/h4-24H,1-3H3
InChIKeyLAXUDIFIMWUBLI-UHFFFAOYSA-N
MW550.66 g/mol
LogP9.25
Rot. Bonds6

About 9-[1-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]imidazol-4-yl]carbazole

9-[1-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]imidazol-4-yl]carbazole (PubChem CID 158386761) has the molecular formula C36H30N4O2 and a molecular weight of 550.66 g/mol. Its IUPAC name is 9-[1-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]imidazol-4-yl]carbazole.

Molecular Properties

Compound Name9-[1-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]imidazol-4-yl]carbazole
PubChem CID158386761
Molecular FormulaC36H30N4O2
Molecular Weight550.66 g/mol
Exact Mass550.24
IUPAC Name9-[1-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]imidazol-4-yl]carbazole
SMILESCC(C)(C)c1cc(Oc2cccc(Oc3ccccn3)c2)cc(-n2cnc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C36H30N4O2/c1-36(2,3)25-19-26(21-29(20-25)41-27-11-10-12-28(22-27)42-35-17-8-9-18-37-35)39-23-34(38-24-39)40-32-15-6-4-13-30(32)31-14-5-7-16-33(31)40/h4-24H,1-3H3
InChIKeyLAXUDIFIMWUBLI-UHFFFAOYSA-N
XLogP9.25
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.66
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[1-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]imidazol-4-yl]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-[1-[3-(3-pyridin-2-yloxyphenoxy)phenyl]triazol-4-yl]carbazole
CID 140731223
1-(3-tert-butylphenyl)-3-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]-2H-benzimidazole
CID 155651329
2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623
2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421793
6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421247
9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421221
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
9-[9-(3-pyridin-2-yloxyphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 140680930
2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 162274979
2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153421843
9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole
CID 153421354
2-[3-tert-butyl-5-(3-methyl-2H-triazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 140788878

Frequently Asked Questions

What is the IUPAC name of 9-[1-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]imidazol-4-yl]carbazole?
The IUPAC name of 9-[1-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]imidazol-4-yl]carbazole (CID 158386761) is 9-[1-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]imidazol-4-yl]carbazole.
What is the SMILES notation for 9-[1-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]imidazol-4-yl]carbazole?
The canonical SMILES for 9-[1-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]imidazol-4-yl]carbazole is CC(C)(C)c1cc(Oc2cccc(Oc3ccccn3)c2)cc(-n2cnc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 9-[1-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]imidazol-4-yl]carbazole?
The InChIKey is LAXUDIFIMWUBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N4O2/c1-36(2,3)25-19-26(21-29(20-25)41-27-11-10-12-28(22-27)42-35-17-8-9-18-37-35)39-23-34(38-24-39)40-32-15-6-4-13-30(32)31-14-5-7-16-33(31)40/h4-24H,1-3H3.
What are the key properties of 9-[1-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]imidazol-4-yl]carbazole?
9-[1-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]imidazol-4-yl]carbazole has a molecular weight of 550.66 g/mol, XLogP of 9.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]imidazol-4-yl]carbazole is sourced from PubChem (CID 158386761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).