3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole

C35H22FN3S — CID 140953402

IUPAC3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole
SMILESFC(c1cccc(-c2ccccn2)c1)c1ccc2c3c4sc5ccccc5c4ccc3n(-c3ccccn3)c2c1
InChIInChI=1S/C35H22FN3S/c36-34(23-9-7-8-22(20-23)28-11-3-5-18-37-28)24-14-15-27-30(21-24)39(32-13-4-6-19-38-32)29-17-16-26-25-10-1-2-12-31(25)40-35(26)33(27)29/h1-21,34H
InChIKeyOXTHNAOLFXYUJS-UHFFFAOYSA-N
MW535.65 g/mol
LogP9.67
Rot. Bonds4

About 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole

3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole (PubChem CID 140953402) has the molecular formula C35H22FN3S and a molecular weight of 535.65 g/mol. Its IUPAC name is 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole
PubChem CID140953402
Molecular FormulaC35H22FN3S
Molecular Weight535.65 g/mol
Exact Mass535.15
IUPAC Name3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole
SMILESFC(c1cccc(-c2ccccn2)c1)c1ccc2c3c4sc5ccccc5c4ccc3n(-c3ccccn3)c2c1
InChIInChI=1S/C35H22FN3S/c36-34(23-9-7-8-22(20-23)28-11-3-5-18-37-28)24-14-15-27-30(21-24)39(32-13-4-6-19-38-32)29-17-16-26-25-10-1-2-12-31(25)40-35(26)33(27)29/h1-21,34H
InChIKeyOXTHNAOLFXYUJS-UHFFFAOYSA-N
XLogP9.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-Benzylindol-3-yl)-4-(4-methylpiperazin-1-yl)thieno[3,2-d]pyrimidine
CID 72199222
3-(8-Fluoro-2-phenylquinolin-7-yl)thieno[3,2-c]pyridin-4-amine
CID 16068700
3-(8-Fluoro-4-methyl-2-phenylquinolin-7-yl)thieno[3,2-c]pyridin-4-amine
CID 16068701
3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzothiophene-3,7-diamine
CID 23593204
3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine
CID 23593353
N-(4-fluorophenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine
CID 89296837
5-Phenyl-2-(4-phenylpyridin-2-yl)-9-(trifluoromethyl)-[1]benzothiolo[3,2-c]carbazole
CID 89609856
1-N,6-N-di(dibenzothiophen-1-yl)-6-N-(2-fluorophenyl)-1-N-pyridin-2-ylpyrene-1,6-diamine
CID 89798904
6-N-dibenzothiophen-4-yl-1-N-(9,9-dimethylfluoren-4-yl)-6-N-(2-fluorophenyl)-1-N-pyridin-2-ylpyrene-1,6-diamine
CID 89798906
N-[4-[9-(5-fluoro-3-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195052
N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195053
N-[4-[9-(6-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195054

Frequently Asked Questions

What is the IUPAC name of 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole (CID 140953402) is 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole is FC(c1cccc(-c2ccccn2)c1)c1ccc2c3c4sc5ccccc5c4ccc3n(-c3ccccn3)c2c1.
What is the InChIKey of 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is OXTHNAOLFXYUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22FN3S/c36-34(23-9-7-8-22(20-23)28-11-3-5-18-37-28)24-14-15-27-30(21-24)39(32-13-4-6-19-38-32)29-17-16-26-25-10-1-2-12-31(25)40-35(26)33(27)29/h1-21,34H.
What are the key properties of 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole?
3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 535.65 g/mol, XLogP of 9.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 140953402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).