1-(2-tert-butyl-6-phenylphenyl)-2-dibenzothiophen-4-ylbenzimidazole

C35H28N2S — CID 156657290

IUPAC1-(2-tert-butyl-6-phenylphenyl)-2-dibenzothiophen-4-ylbenzimidazole
SMILESCC(C)(C)c1cccc(-c2ccccc2)c1-n1c(-c2cccc3c2sc2ccccc23)nc2ccccc21
InChIInChI=1S/C35H28N2S/c1-35(2,3)28-19-12-16-24(23-13-5-4-6-14-23)32(28)37-30-21-9-8-20-29(30)36-34(37)27-18-11-17-26-25-15-7-10-22-31(25)38-33(26)27/h4-22H,1-3H3
InChIKeyJVDVPBNINJABOV-UHFFFAOYSA-N
MW508.69 g/mol
LogP10.02
Rot. Bonds3

About 1-(2-tert-butyl-6-phenylphenyl)-2-dibenzothiophen-4-ylbenzimidazole

1-(2-tert-butyl-6-phenylphenyl)-2-dibenzothiophen-4-ylbenzimidazole (PubChem CID 156657290) has the molecular formula C35H28N2S and a molecular weight of 508.69 g/mol. Its IUPAC name is 1-(2-tert-butyl-6-phenylphenyl)-2-dibenzothiophen-4-ylbenzimidazole.

Molecular Properties

Compound Name1-(2-tert-butyl-6-phenylphenyl)-2-dibenzothiophen-4-ylbenzimidazole
PubChem CID156657290
Molecular FormulaC35H28N2S
Molecular Weight508.69 g/mol
Exact Mass508.20
IUPAC Name1-(2-tert-butyl-6-phenylphenyl)-2-dibenzothiophen-4-ylbenzimidazole
SMILESCC(C)(C)c1cccc(-c2ccccc2)c1-n1c(-c2cccc3c2sc2ccccc23)nc2ccccc21
InChIInChI=1S/C35H28N2S/c1-35(2,3)28-19-12-16-24(23-13-5-4-6-14-23)32(28)37-30-21-9-8-20-29(30)36-34(37)27-18-11-17-26-25-15-7-10-22-31(25)38-33(26)27/h4-22H,1-3H3
InChIKeyJVDVPBNINJABOV-UHFFFAOYSA-N
XLogP10.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.69
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-tert-butyl-6-phenylphenyl)-2-dibenzothiophen-4-ylbenzimidazole 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

8-[1-(2-tert-butyl-6-phenylphenyl)benzimidazol-2-yl]-2-methyl-[1]benzothiolo[2,3-b]pyridine
CID 156670264
1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)-2-(7-methyldibenzothiophen-4-yl)benzimidazole
CID 171435785
1-(2,6-diphenylphenyl)-2-[5-[4-(trideuteriomethyl)phenyl]naphtho[2,1-b][1]benzothiol-8-yl]benzimidazole
CID 156658284
1-(4-tert-butyl-2-phenylphenyl)-2-[7-(2,2-dimethylpropyl)dibenzothiophen-4-yl]benzimidazole
CID 156657761
1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluoro-9-phenyldibenzothiophen-4-yl)benzimidazole
CID 170931421
2-(4-dibenzothiophen-4-yl-2-ethylphenyl)-1-phenylbenzimidazole
CID 58309530
9-dibenzothiophen-4-yl-8-(2,6-dimethyl-4-phenylphenyl)naphtho[1,2-f]benzimidazole
CID 156657666
3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole
CID 67816856
2-naphtho[2,3-b][1]benzothiol-4-yl-1-phenylbenzimidazole
CID 170532031
2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1-phenylbenzimidazole
CID 152829273
1-dibenzothiophen-2-yl-2-(6-fluoro-8-phenyldibenzothiophen-4-yl)benzimidazole
CID 156657787
4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene
CID 146578977

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-6-phenylphenyl)-2-dibenzothiophen-4-ylbenzimidazole?
The IUPAC name of 1-(2-tert-butyl-6-phenylphenyl)-2-dibenzothiophen-4-ylbenzimidazole (CID 156657290) is 1-(2-tert-butyl-6-phenylphenyl)-2-dibenzothiophen-4-ylbenzimidazole.
What is the SMILES notation for 1-(2-tert-butyl-6-phenylphenyl)-2-dibenzothiophen-4-ylbenzimidazole?
The canonical SMILES for 1-(2-tert-butyl-6-phenylphenyl)-2-dibenzothiophen-4-ylbenzimidazole is CC(C)(C)c1cccc(-c2ccccc2)c1-n1c(-c2cccc3c2sc2ccccc23)nc2ccccc21.
What is the InChIKey of 1-(2-tert-butyl-6-phenylphenyl)-2-dibenzothiophen-4-ylbenzimidazole?
The InChIKey is JVDVPBNINJABOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N2S/c1-35(2,3)28-19-12-16-24(23-13-5-4-6-14-23)32(28)37-30-21-9-8-20-29(30)36-34(37)27-18-11-17-26-25-15-7-10-22-31(25)38-33(26)27/h4-22H,1-3H3.
What are the key properties of 1-(2-tert-butyl-6-phenylphenyl)-2-dibenzothiophen-4-ylbenzimidazole?
1-(2-tert-butyl-6-phenylphenyl)-2-dibenzothiophen-4-ylbenzimidazole has a molecular weight of 508.69 g/mol, XLogP of 10.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-6-phenylphenyl)-2-dibenzothiophen-4-ylbenzimidazole is sourced from PubChem (CID 156657290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).