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

C35H21FN2S — CID 167332871

IUPAC2-dibenzothiophen-4-yl-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole
SMILESFc1cc(-c2ccccc2)c(-n2c(-c3cccc4c3sc3ccccc34)nc3ccccc32)c2ccccc12
InChIInChI=1S/C35H21FN2S/c36-29-21-28(22-11-2-1-3-12-22)33(25-15-5-4-13-23(25)29)38-31-19-8-7-18-30(31)37-35(38)27-17-10-16-26-24-14-6-9-20-32(24)39-34(26)27/h1-21H
InChIKeyQTCVRIXMOUBGPX-UHFFFAOYSA-N
MW520.63 g/mol
LogP10.02
Rot. Bonds3

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

2-dibenzothiophen-4-yl-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole (PubChem CID 167332871) has the molecular formula C35H21FN2S and a molecular weight of 520.63 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole
PubChem CID167332871
Molecular FormulaC35H21FN2S
Molecular Weight520.63 g/mol
Exact Mass520.14
IUPAC Name2-dibenzothiophen-4-yl-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole
SMILESFc1cc(-c2ccccc2)c(-n2c(-c3cccc4c3sc3ccccc34)nc3ccccc32)c2ccccc12
InChIInChI=1S/C35H21FN2S/c36-29-21-28(22-11-2-1-3-12-22)33(25-15-5-4-13-23(25)29)38-31-19-8-7-18-30(31)37-35(38)27-17-10-16-26-24-14-6-9-20-32(24)39-34(26)27/h1-21H
InChIKeyQTCVRIXMOUBGPX-UHFFFAOYSA-N
XLogP10.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-thienyl)-1H-phenanthro[9,10-d]imidazole
CID 302174
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
1,2-Diphenyl-1H-phenanthro[9,10-d]imidazole
CID 632862
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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole?
The IUPAC name of 2-dibenzothiophen-4-yl-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole (CID 167332871) is 2-dibenzothiophen-4-yl-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole.
What is the SMILES notation for 2-dibenzothiophen-4-yl-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole?
The canonical SMILES for 2-dibenzothiophen-4-yl-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole is Fc1cc(-c2ccccc2)c(-n2c(-c3cccc4c3sc3ccccc34)nc3ccccc32)c2ccccc12.
What is the InChIKey of 2-dibenzothiophen-4-yl-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole?
The InChIKey is QTCVRIXMOUBGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21FN2S/c36-29-21-28(22-11-2-1-3-12-22)33(25-15-5-4-13-23(25)29)38-31-19-8-7-18-30(31)37-35(38)27-17-10-16-26-24-14-6-9-20-32(24)39-34(26)27/h1-21H.
What are the key properties of 2-dibenzothiophen-4-yl-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole?
2-dibenzothiophen-4-yl-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole has a molecular weight of 520.63 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 2-dibenzothiophen-4-yl-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole is sourced from PubChem (CID 167332871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).