2-dibenzothiophen-4-yl-6-fluoro-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole

C35H20F2N2S — CID 156658239

IUPAC2-dibenzothiophen-4-yl-6-fluoro-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole
SMILESFc1ccc2nc(-c3cccc4c3sc3ccccc34)n(-c3c(-c4ccccc4)cc(F)c4ccccc34)c2c1
InChIInChI=1S/C35H20F2N2S/c36-22-17-18-30-31(19-22)39(35(38-30)27-15-8-14-26-24-12-6-7-16-32(24)40-34(26)27)33-25-13-5-4-11-23(25)29(37)20-28(33)21-9-2-1-3-10-21/h1-20H
InChIKeyUDEXPJQSWKCPCS-UHFFFAOYSA-N
MW538.62 g/mol
LogP10.16
Rot. Bonds3

About 2-dibenzothiophen-4-yl-6-fluoro-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole

2-dibenzothiophen-4-yl-6-fluoro-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole (PubChem CID 156658239) has the molecular formula C35H20F2N2S and a molecular weight of 538.62 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-6-fluoro-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-6-fluoro-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole
PubChem CID156658239
Molecular FormulaC35H20F2N2S
Molecular Weight538.62 g/mol
Exact Mass538.13
IUPAC Name2-dibenzothiophen-4-yl-6-fluoro-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole
SMILESFc1ccc2nc(-c3cccc4c3sc3ccccc34)n(-c3c(-c4ccccc4)cc(F)c4ccccc34)c2c1
InChIInChI=1S/C35H20F2N2S/c36-22-17-18-30-31(19-22)39(35(38-30)27-15-8-14-26-24-12-6-7-16-32(24)40-34(26)27)33-25-13-5-4-11-23(25)29(37)20-28(33)21-9-2-1-3-10-21/h1-20H
InChIKeyUDEXPJQSWKCPCS-UHFFFAOYSA-N
XLogP10.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.62
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylbenzyl)-2-(thiophen-2-yl)-1H-benzimidazole
CID 7728393
3-Methyl-2-(thiophen-2-YL)-3H-naphtho[1,2-D]imidazole
CID 14011832
14-(4-phenylquinazolin-2-yl)-14H-benzo[c]benzo[4,5]thieno[2,3-a]carbazole
CID 89712268
2-(4-(9h-Carbazol-9-yl)phenyl)-1-(3,5-difluorophenyl)-1h-phenanthro[9,10-d]imidazole
CID 171118274
3-(4-Methylphenyl)-2-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
CID 101875829
2-(4-Fluorophenyl)-3-phenylphenanthro[9,10-d]imidazole
CID 102194297
2-(4-Fluorophenyl)-1-(4-methylphenyl)-1H-phenanthro[9,10-d]imidazole
CID 123281339
1-(3,5-Dimethylphenyl)-2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole
CID 139244554
7-(4-Fluorophenyl)-4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)-2,1,3-benzothiadiazole
CID 168340137
2-(2-Thienyl)-1-methylphenanthro[9,10-d]imidazole
CID 879984
N,N-diphenyl-4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)aniline
CID 59188546
3-Phenyl-2-[3-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]phenanthro[9,10-d]imidazole
CID 59642893

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-6-fluoro-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole?
The IUPAC name of 2-dibenzothiophen-4-yl-6-fluoro-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole (CID 156658239) is 2-dibenzothiophen-4-yl-6-fluoro-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole.
What is the SMILES notation for 2-dibenzothiophen-4-yl-6-fluoro-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole?
The canonical SMILES for 2-dibenzothiophen-4-yl-6-fluoro-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole is Fc1ccc2nc(-c3cccc4c3sc3ccccc34)n(-c3c(-c4ccccc4)cc(F)c4ccccc34)c2c1.
What is the InChIKey of 2-dibenzothiophen-4-yl-6-fluoro-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole?
The InChIKey is UDEXPJQSWKCPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20F2N2S/c36-22-17-18-30-31(19-22)39(35(38-30)27-15-8-14-26-24-12-6-7-16-32(24)40-34(26)27)33-25-13-5-4-11-23(25)29(37)20-28(33)21-9-2-1-3-10-21/h1-20H.
What are the key properties of 2-dibenzothiophen-4-yl-6-fluoro-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole?
2-dibenzothiophen-4-yl-6-fluoro-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole has a molecular weight of 538.62 g/mol, XLogP of 10.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-6-fluoro-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole is sourced from PubChem (CID 156658239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).