7-fluoro-2-methyl-1-(1-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;7-fluoro-3-methyl-4-(1-methylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidin-3-ium;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(2-methylphenyl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C113H81F5N15S5+5 — CID 159382205

About 7-fluoro-2-methyl-1-(1-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;7-fluoro-3-methyl-4-(1-methylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidin-3-ium;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(2-methylphenyl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

7-fluoro-2-methyl-1-(1-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;7-fluoro-3-methyl-4-(1-methylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidin-3-ium;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(2-methylphenyl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 159382205) has the molecular formula C113H81F5N15S5+5 and a molecular weight of 1904.32 g/mol. Its IUPAC name is 7-fluoro-2-methyl-1-(1-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;7-fluoro-3-methyl-4-(1-methylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidin-3-ium;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(2-methylphenyl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

• Compound Name: 7-fluoro-2-methyl-1-(1-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;7-fluoro-3-methyl-4-(1-methylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidin-3-ium;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(2-methylphenyl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• PubChem CID: 159382205
• Molecular Formula: C113H81F5N15S5+5
• Molecular Weight: 1904.32 g/mol
• Exact Mass: 1902.53
• IUPAC Name: 7-fluoro-2-methyl-1-(1-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;7-fluoro-3-methyl-4-(1-methylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidin-3-ium;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(2-methylphenyl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• SMILES: Cc1cccc2c3ccccc3n(-c3c4sc5cc(F)ccc5c4cc[n+]3C)c12.Cc1cccc2c3ccccc3n(-c3c4sc5cc(F)ccc5c4nc[n+]3C)c12.Cc1cccc2c3ccccc3n(-c3c4sc5nc(F)ccc5c4cc[n+]3C)c12.Cc1cccc2c3ccccc3n(-c3c4sc5nc(F)ccc5c4nc[n+]3C)c12.Cc1ccccc1-c1c2sc3nc(F)ccc3c2nc[n+]1C
• InChI: InChI=1S/C25H18FN2S.2C24H17FN3S.C23H16FN4S.C17H13FN3S/c1-15-6-5-8-19-17-7-3-4-9-21(17)28(23(15)19)25-24-20(12-13-27(25)2)18-11-10-16(26)14-22(18)29-24;1-14-6-5-8-17-16-7-3-4-9-19(16)28(22(14)17)24-23-21(26-13-27(24)2)18-11-10-15(25)12-20(18)29-23;1-14-6-5-8-16-15-7-3-4-9-19(15)28(21(14)16)24-22-17(12-13-27(24)2)18-10-11-20(25)26-23(18)29-22;1-13-6-5-8-15-14-7-3-4-9-17(14)28(20(13)15)23-21-19(25-12-27(23)2)16-10-11-18(24)26-22(16)29-21;1-10-5-3-4-6-11(10)15-16-14(19-9-21(15)2)12-7-8-13(18)20-17(12)22-16/h3-14H,1-2H3;2*3-13H,1-2H3;3-12H,1-2H3;3-9H,1-2H3/q5*+1
• InChIKey: NGUUPUVGNRZIBY-UHFFFAOYSA-N
• XLogP: 27.06
• TPSA: 116.46 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 5
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1904.32
LogP ≤ 5	27.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-1-(1-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;7-fluoro-3-methyl-4-(1-methylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidin-3-ium;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(2-methylphenyl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The IUPAC name of 7-fluoro-2-methyl-1-(1-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;7-fluoro-3-methyl-4-(1-methylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidin-3-ium;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(2-methylphenyl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 159382205) is 7-fluoro-2-methyl-1-(1-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;7-fluoro-3-methyl-4-(1-methylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidin-3-ium;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(2-methylphenyl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

What is the SMILES notation for 7-fluoro-2-methyl-1-(1-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;7-fluoro-3-methyl-4-(1-methylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidin-3-ium;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(2-methylphenyl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The canonical SMILES for 7-fluoro-2-methyl-1-(1-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;7-fluoro-3-methyl-4-(1-methylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidin-3-ium;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(2-methylphenyl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Cc1cccc2c3ccccc3n(-c3c4sc5cc(F)ccc5c4cc[n+]3C)c12.Cc1cccc2c3ccccc3n(-c3c4sc5cc(F)ccc5c4nc[n+]3C)c12.Cc1cccc2c3ccccc3n(-c3c4sc5nc(F)ccc5c4cc[n+]3C)c12.Cc1cccc2c3ccccc3n(-c3c4sc5nc(F)ccc5c4nc[n+]3C)c12.Cc1ccccc1-c1c2sc3nc(F)ccc3c2nc[n+]1C.

What is the InChIKey of 7-fluoro-2-methyl-1-(1-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;7-fluoro-3-methyl-4-(1-methylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidin-3-ium;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(2-methylphenyl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The InChIKey is NGUUPUVGNRZIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN2S.2C24H17FN3S.C23H16FN4S.C17H13FN3S/c1-15-6-5-8-19-17-7-3-4-9-21(17)28(23(15)19)25-24-20(12-13-27(25)2)18-11-10-16(26)14-22(18)29-24;1-14-6-5-8-17-16-7-3-4-9-19(16)28(22(14)17)24-23-21(26-13-27(24)2)18-11-10-15(25)12-20(18)29-23;1-14-6-5-8-16-15-7-3-4-9-19(15)28(21(14)16)24-22-17(12-13-27(24)2)18-10-11-20(25)26-23(18)29-22;1-13-6-5-8-15-14-7-3-4-9-17(14)28(20(13)15)23-21-19(25-12-27(23)2)16-10-11-18(24)26-22(16)29-21;1-10-5-3-4-6-11(10)15-16-14(19-9-21(15)2)12-7-8-13(18)20-17(12)22-16/h3-14H,1-2H3;2*3-13H,1-2H3;3-12H,1-2H3;3-9H,1-2H3/q5*+1.

What are the key properties of 7-fluoro-2-methyl-1-(1-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;7-fluoro-3-methyl-4-(1-methylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidin-3-ium;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(2-methylphenyl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

7-fluoro-2-methyl-1-(1-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;7-fluoro-3-methyl-4-(1-methylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidin-3-ium;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(2-methylphenyl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 1904.32 g/mol, XLogP of 27.06, 5 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-2-methyl-1-(1-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;7-fluoro-3-methyl-4-(1-methylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidin-3-ium;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(2-methylphenyl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 159382205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).