2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-5,6-dihydrobenzimidazole

C31H22N2S — CID 164976500

IUPAC2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-5,6-dihydrobenzimidazole
SMILESC1=c2nc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)n(-c3ccccc3)c2=CCC1
InChIInChI=1S/C31H22N2S/c1-2-12-23(13-3-1)33-28-18-6-5-17-27(28)32-31(33)22-11-8-10-21(20-22)24-15-9-16-26-25-14-4-7-19-29(25)34-30(24)26/h1-4,7-20H,5-6H2
InChIKeyDVZMWQAAIZWLRE-UHFFFAOYSA-N
MW454.60 g/mol
LogP6.93
Rot. Bonds3

About 2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-5,6-dihydrobenzimidazole

2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-5,6-dihydrobenzimidazole (PubChem CID 164976500) has the molecular formula C31H22N2S and a molecular weight of 454.60 g/mol. Its IUPAC name is 2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-5,6-dihydrobenzimidazole.

Molecular Properties

Compound Name2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-5,6-dihydrobenzimidazole
PubChem CID164976500
Molecular FormulaC31H22N2S
Molecular Weight454.60 g/mol
Exact Mass454.15
IUPAC Name2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-5,6-dihydrobenzimidazole
SMILESC1=c2nc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)n(-c3ccccc3)c2=CCC1
InChIInChI=1S/C31H22N2S/c1-2-12-23(13-3-1)33-28-18-6-5-17-27(28)32-31(33)22-11-8-10-21(20-22)24-15-9-16-26-25-14-4-7-19-29(25)34-30(24)26/h1-4,7-20H,5-6H2
InChIKeyDVZMWQAAIZWLRE-UHFFFAOYSA-N
XLogP6.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.60
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-dibenzothiophen-4-ylnaphthalen-2-yl)-4,5-diphenyl-1,2,4-triazole
CID 58518696
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
3-dibenzothiophen-4-yl-9-[3-(1,7-diphenylbenzimidazol-2-yl)phenyl]carbazole
CID 67818577
3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole
CID 67816856
3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-4,5-diphenyl-1,2,4-triazole
CID 58518733
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]carbazole;9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158652173
2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole
CID 155356641
2-[3-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole
CID 154010769
21-(3-dibenzothiophen-4-ylphenyl)-10-phenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 129124530
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine
CID 59133526

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-5,6-dihydrobenzimidazole?
The IUPAC name of 2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-5,6-dihydrobenzimidazole (CID 164976500) is 2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-5,6-dihydrobenzimidazole.
What is the SMILES notation for 2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-5,6-dihydrobenzimidazole?
The canonical SMILES for 2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-5,6-dihydrobenzimidazole is C1=c2nc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)n(-c3ccccc3)c2=CCC1.
What is the InChIKey of 2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-5,6-dihydrobenzimidazole?
The InChIKey is DVZMWQAAIZWLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2S/c1-2-12-23(13-3-1)33-28-18-6-5-17-27(28)32-31(33)22-11-8-10-21(20-22)24-15-9-16-26-25-14-4-7-19-29(25)34-30(24)26/h1-4,7-20H,5-6H2.
What are the key properties of 2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-5,6-dihydrobenzimidazole?
2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-5,6-dihydrobenzimidazole has a molecular weight of 454.60 g/mol, XLogP of 6.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-5,6-dihydrobenzimidazole is sourced from PubChem (CID 164976500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).