6-cyclopentyl-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(cyclopentylmethyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(2,2-dimethylpropyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-propan-2-ylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)isoquinolin-2-ium

C144H136F8N5O5+5 — CID 160644466

About 6-cyclopentyl-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(cyclopentylmethyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(2,2-dimethylpropyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-propan-2-ylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)isoquinolin-2-ium

6-cyclopentyl-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(cyclopentylmethyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(2,2-dimethylpropyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-propan-2-ylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)isoquinolin-2-ium (PubChem CID 160644466) has the molecular formula C144H136F8N5O5+5 and a molecular weight of 2168.69 g/mol. Its IUPAC name is 6-cyclopentyl-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(cyclopentylmethyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(2,2-dimethylpropyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-propan-2-ylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)isoquinolin-2-ium.

Molecular Properties

• Compound Name: 6-cyclopentyl-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(cyclopentylmethyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(2,2-dimethylpropyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-propan-2-ylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)isoquinolin-2-ium
• PubChem CID: 160644466
• Molecular Formula: C144H136F8N5O5+5
• Molecular Weight: 2168.69 g/mol
• Exact Mass: 2167.04
• IUPAC Name: 6-cyclopentyl-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(cyclopentylmethyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(2,2-dimethylpropyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-propan-2-ylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)isoquinolin-2-ium
• SMILES: Cc1cc2c(oc3cc(F)ccc32)c(-c2c3ccc(C(C)C)cc3cc[n+]2C)c1C.Cc1cc2c(oc3cc(F)ccc32)c(-c2c3ccc(C4CCCC4)cc3cc[n+]2C)c1C.Cc1cc2c(oc3cc(F)ccc32)c(-c2c3ccc(CC(C)(C)C(F)(F)F)cc3cc[n+]2C)c1C.Cc1cc2c(oc3cc(F)ccc32)c(-c2c3ccc(CC(C)(C)C)cc3cc[n+]2C)c1C.Cc1cc2c(oc3cc(F)ccc32)c(-c2c3ccc(CC4CCCC4)cc3cc[n+]2C)c1C
• InChI: InChI=1S/C30H29FNO.C29H26F4NO.C29H27FNO.C29H29FNO.C27H25FNO/c1-18-14-26-25-11-9-23(31)17-27(25)33-30(26)28(19(18)2)29-24-10-8-21(15-20-6-4-5-7-20)16-22(24)12-13-32(29)3;1-16-12-23-22-9-7-20(30)14-24(22)35-27(23)25(17(16)2)26-21-8-6-18(13-19(21)10-11-34(26)5)15-28(3,4)29(31,32)33;1-17-14-25-24-11-9-22(30)16-26(24)32-29(25)27(18(17)2)28-23-10-8-20(19-6-4-5-7-19)15-21(23)12-13-31(28)3;1-17-13-24-23-10-8-21(30)15-25(23)32-28(24)26(18(17)2)27-22-9-7-19(16-29(3,4)5)14-20(22)11-12-31(27)6;1-15(2)18-6-8-21-19(13-18)10-11-29(5)26(21)25-17(4)16(3)12-23-22-9-7-20(28)14-24(22)30-27(23)25/h8-14,16-17,20H,4-7,15H2,1-3H3;6-14H,15H2,1-5H3;8-16,19H,4-7H2,1-3H3;7-15H,16H2,1-6H3;6-15H,1-5H3/q5*+1
• InChIKey: MTKYMSOCRCRFAB-UHFFFAOYSA-N
• XLogP: 38.17
• TPSA: 85.10 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2168.69
LogP ≤ 5	38.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(cyclopentylmethyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(2,2-dimethylpropyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-propan-2-ylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)isoquinolin-2-ium?

The IUPAC name of 6-cyclopentyl-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(cyclopentylmethyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(2,2-dimethylpropyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-propan-2-ylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)isoquinolin-2-ium (CID 160644466) is 6-cyclopentyl-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(cyclopentylmethyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(2,2-dimethylpropyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-propan-2-ylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)isoquinolin-2-ium.

What is the SMILES notation for 6-cyclopentyl-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(cyclopentylmethyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(2,2-dimethylpropyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-propan-2-ylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)isoquinolin-2-ium?

The canonical SMILES for 6-cyclopentyl-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(cyclopentylmethyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(2,2-dimethylpropyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-propan-2-ylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)isoquinolin-2-ium is Cc1cc2c(oc3cc(F)ccc32)c(-c2c3ccc(C(C)C)cc3cc[n+]2C)c1C.Cc1cc2c(oc3cc(F)ccc32)c(-c2c3ccc(C4CCCC4)cc3cc[n+]2C)c1C.Cc1cc2c(oc3cc(F)ccc32)c(-c2c3ccc(CC(C)(C)C(F)(F)F)cc3cc[n+]2C)c1C.Cc1cc2c(oc3cc(F)ccc32)c(-c2c3ccc(CC(C)(C)C)cc3cc[n+]2C)c1C.Cc1cc2c(oc3cc(F)ccc32)c(-c2c3ccc(CC4CCCC4)cc3cc[n+]2C)c1C.

What is the InChIKey of 6-cyclopentyl-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(cyclopentylmethyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(2,2-dimethylpropyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-propan-2-ylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)isoquinolin-2-ium?

The InChIKey is MTKYMSOCRCRFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FNO.C29H26F4NO.C29H27FNO.C29H29FNO.C27H25FNO/c1-18-14-26-25-11-9-23(31)17-27(25)33-30(26)28(19(18)2)29-24-10-8-21(15-20-6-4-5-7-20)16-22(24)12-13-32(29)3;1-16-12-23-22-9-7-20(30)14-24(22)35-27(23)25(17(16)2)26-21-8-6-18(13-19(21)10-11-34(26)5)15-28(3,4)29(31,32)33;1-17-14-25-24-11-9-22(30)16-26(24)32-29(25)27(18(17)2)28-23-10-8-20(19-6-4-5-7-19)15-21(23)12-13-31(28)3;1-17-13-24-23-10-8-21(30)15-25(23)32-28(24)26(18(17)2)27-22-9-7-19(16-29(3,4)5)14-20(22)11-12-31(27)6;1-15(2)18-6-8-21-19(13-18)10-11-29(5)26(21)25-17(4)16(3)12-23-22-9-7-20(28)14-24(22)30-27(23)25/h8-14,16-17,20H,4-7,15H2,1-3H3;6-14H,15H2,1-5H3;8-16,19H,4-7H2,1-3H3;7-15H,16H2,1-6H3;6-15H,1-5H3/q5*+1.

What are the key properties of 6-cyclopentyl-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(cyclopentylmethyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(2,2-dimethylpropyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-propan-2-ylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)isoquinolin-2-ium?

6-cyclopentyl-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(cyclopentylmethyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(2,2-dimethylpropyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-propan-2-ylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)isoquinolin-2-ium has a molecular weight of 2168.69 g/mol, XLogP of 38.17, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopentyl-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(cyclopentylmethyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(2,2-dimethylpropyl)-1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-propan-2-ylisoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)isoquinolin-2-ium is sourced from PubChem (CID 160644466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).