3-[2-[3-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole

C44H39N5O — CID 162476395

IUPAC3-[2-[3-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1cnc(-n3c4ccccc4c4ccc(Oc5cc(N6C=CN(c7ccccc7)C6)cc(C(C)(C)C)c5)cc43)cc1n2C
InChIInChI=1S/C44H39N5O/c1-29-15-18-39-37(21-29)38-27-45-43(26-41(38)46(39)5)49-40-14-10-9-13-35(40)36-17-16-33(25-42(36)49)50-34-23-30(44(2,3)4)22-32(24-34)48-20-19-47(28-48)31-11-7-6-8-12-31/h6-27H,28H2,1-5H3
InChIKeyWWIWQIJXHAIPKD-UHFFFAOYSA-N
MW653.83 g/mol
LogP10.98
Rot. Bonds5

About 3-[2-[3-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole

3-[2-[3-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole (PubChem CID 162476395) has the molecular formula C44H39N5O and a molecular weight of 653.83 g/mol. Its IUPAC name is 3-[2-[3-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole.

Molecular Properties

Compound Name3-[2-[3-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole
PubChem CID162476395
Molecular FormulaC44H39N5O
Molecular Weight653.83 g/mol
Exact Mass653.32
IUPAC Name3-[2-[3-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1cnc(-n3c4ccccc4c4ccc(Oc5cc(N6C=CN(c7ccccc7)C6)cc(C(C)(C)C)c5)cc43)cc1n2C
InChIInChI=1S/C44H39N5O/c1-29-15-18-39-37(21-29)38-27-45-43(26-41(38)46(39)5)49-40-14-10-9-13-35(40)36-17-16-33(25-42(36)49)50-34-23-30(44(2,3)4)22-32(24-34)48-20-19-47(28-48)31-11-7-6-8-12-31/h6-27H,28H2,1-5H3
InChIKeyWWIWQIJXHAIPKD-UHFFFAOYSA-N
XLogP10.98
TPSA38.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[3-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole 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

5,8-dimethyl-3-[2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]pyrido[4,3-b]indole
CID 162475982
3-[2-[3-(3,6-diphenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole
CID 162476242
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
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-tert-butyl-7-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(5-methyl-2-pyridinyl)carbazole
CID 155652244
2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623
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-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]indolo[3,2-b]indole
CID 169031348
2-[3-tert-butyl-5-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]carbazole
CID 163709529
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-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161047690

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole?
The IUPAC name of 3-[2-[3-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole (CID 162476395) is 3-[2-[3-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole.
What is the SMILES notation for 3-[2-[3-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole?
The canonical SMILES for 3-[2-[3-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole is Cc1ccc2c(c1)c1cnc(-n3c4ccccc4c4ccc(Oc5cc(N6C=CN(c7ccccc7)C6)cc(C(C)(C)C)c5)cc43)cc1n2C.
What is the InChIKey of 3-[2-[3-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole?
The InChIKey is WWIWQIJXHAIPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H39N5O/c1-29-15-18-39-37(21-29)38-27-45-43(26-41(38)46(39)5)49-40-14-10-9-13-35(40)36-17-16-33(25-42(36)49)50-34-23-30(44(2,3)4)22-32(24-34)48-20-19-47(28-48)31-11-7-6-8-12-31/h6-27H,28H2,1-5H3.
What are the key properties of 3-[2-[3-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole?
3-[2-[3-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole has a molecular weight of 653.83 g/mol, XLogP of 10.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole is sourced from PubChem (CID 162476395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).