4-(1,7-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium

C124H112F9N10O5S4+5 — CID 159051207

About 4-(1,7-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium

4-(1,7-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium (PubChem CID 159051207) has the molecular formula C124H112F9N10O5S4+5 and a molecular weight of 2121.57 g/mol. Its IUPAC name is 4-(1,7-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium.

Molecular Properties

• Compound Name: 4-(1,7-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium
• PubChem CID: 159051207
• Molecular Formula: C124H112F9N10O5S4+5
• Molecular Weight: 2121.57 g/mol
• Exact Mass: 2119.75
• IUPAC Name: 4-(1,7-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium
• SMILES: Cc1c(C)c(F)c2c(oc3cc(F)ccc32)c1-c1c2ccc(CC(C)(C)C(F)(F)F)cc2nc[n+]1C.Cc1cc2c(oc3cc(F)ccc32)c(-c2c3sc(C)c(C(C)C)c3nc[n+]2C)c1C.Cc1cc2c(oc3cc(F)ccc32)c(-c2c3scc(C(C)C)c3nc[n+]2C)c1C.Cc1ccc2c(oc3cc(F)ccc32)c1-c1c2sc(C)c(C(C)C)c2nc[n+]1C.Cc1ccc2c(oc3cc(F)ccc32)c1-c1c2scc(C(C)C)c2nc[n+]1C
• InChI: InChI=1S/C28H24F5N2O.C25H24FN2OS.2C24H22FN2OS.C23H20FN2OS/c1-14-15(2)24(30)23-19-9-7-17(29)11-21(19)36-26(23)22(14)25-18-8-6-16(10-20(18)34-13-35(25)5)12-27(3,4)28(31,32)33;1-12(2)20-15(5)30-25-22(20)27-11-28(6)23(25)21-14(4)13(3)9-18-17-8-7-16(26)10-19(17)29-24(18)21;1-12(2)19-14(4)29-24-21(19)26-11-27(5)22(24)20-13(3)6-8-17-16-9-7-15(25)10-18(16)28-23(17)20;1-12(2)18-10-29-24-21(18)26-11-27(5)22(24)20-14(4)13(3)8-17-16-7-6-15(25)9-19(16)28-23(17)20;1-12(2)17-10-28-23-20(17)25-11-26(4)21(23)19-13(3)5-7-16-15-8-6-14(24)9-18(15)27-22(16)19/h6-11,13H,12H2,1-5H3;7-12H,1-6H3;2*6-12H,1-5H3;5-12H,1-4H3/q5*+1
• InChIKey: WPVPINYICZGVER-UHFFFAOYSA-N
• XLogP: 33.92
• TPSA: 149.55 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2121.57
LogP ≤ 5	33.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(1,7-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium?

The IUPAC name of 4-(1,7-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium (CID 159051207) is 4-(1,7-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium.

What is the SMILES notation for 4-(1,7-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium?

The canonical SMILES for 4-(1,7-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium is Cc1c(C)c(F)c2c(oc3cc(F)ccc32)c1-c1c2ccc(CC(C)(C)C(F)(F)F)cc2nc[n+]1C.Cc1cc2c(oc3cc(F)ccc32)c(-c2c3sc(C)c(C(C)C)c3nc[n+]2C)c1C.Cc1cc2c(oc3cc(F)ccc32)c(-c2c3scc(C(C)C)c3nc[n+]2C)c1C.Cc1ccc2c(oc3cc(F)ccc32)c1-c1c2sc(C)c(C(C)C)c2nc[n+]1C.Cc1ccc2c(oc3cc(F)ccc32)c1-c1c2scc(C(C)C)c2nc[n+]1C.

What is the InChIKey of 4-(1,7-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium?

The InChIKey is WPVPINYICZGVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F5N2O.C25H24FN2OS.2C24H22FN2OS.C23H20FN2OS/c1-14-15(2)24(30)23-19-9-7-17(29)11-21(19)36-26(23)22(14)25-18-8-6-16(10-20(18)34-13-35(25)5)12-27(3,4)28(31,32)33;1-12(2)20-15(5)30-25-22(20)27-11-28(6)23(25)21-14(4)13(3)9-18-17-8-7-16(26)10-19(17)29-24(18)21;1-12(2)19-14(4)29-24-21(19)26-11-27(5)22(24)20-13(3)6-8-17-16-9-7-15(25)10-18(16)28-23(17)20;1-12(2)18-10-29-24-21(18)26-11-27(5)22(24)20-14(4)13(3)8-17-16-7-6-15(25)9-19(16)28-23(17)20;1-12(2)17-10-28-23-20(17)25-11-26(4)21(23)19-13(3)5-7-16-15-8-6-14(24)9-18(15)27-22(16)19/h6-11,13H,12H2,1-5H3;7-12H,1-6H3;2*6-12H,1-5H3;5-12H,1-4H3/q5*+1.

What are the key properties of 4-(1,7-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium?

4-(1,7-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium has a molecular weight of 2121.57 g/mol, XLogP of 33.92, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,7-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3,6-dimethyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium is sourced from PubChem (CID 159051207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).