4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-2,3-dimethyl-7,10-bis(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-3-methyl-1H-benzo[f]phthalazin-3-ium-1-ide;3-ethyl-5,7,8,9,10-pentafluoro-2,4,6-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-5,8,9-trifluoro-2,4,6-trimethylthieno[3,2-f]quinoxalin-4-ium;rhenium

C97H77F28N12ReS+5 — CID 158632882

About 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-2,3-dimethyl-7,10-bis(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-3-methyl-1H-benzo[f]phthalazin-3-ium-1-ide;3-ethyl-5,7,8,9,10-pentafluoro-2,4,6-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-5,8,9-trifluoro-2,4,6-trimethylthieno[3,2-f]quinoxalin-4-ium;rhenium

4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-2,3-dimethyl-7,10-bis(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-3-methyl-1H-benzo[f]phthalazin-3-ium-1-ide;3-ethyl-5,7,8,9,10-pentafluoro-2,4,6-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-5,8,9-trifluoro-2,4,6-trimethylthieno[3,2-f]quinoxalin-4-ium;rhenium (PubChem CID 158632882) has the molecular formula C97H77F28N12ReS+5 and a molecular weight of 2160.98 g/mol. Its IUPAC name is 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-2,3-dimethyl-7,10-bis(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-3-methyl-1H-benzo[f]phthalazin-3-ium-1-ide;3-ethyl-5,7,8,9,10-pentafluoro-2,4,6-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-5,8,9-trifluoro-2,4,6-trimethylthieno[3,2-f]quinoxalin-4-ium;rhenium.

Molecular Properties

• Compound Name: 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-2,3-dimethyl-7,10-bis(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-3-methyl-1H-benzo[f]phthalazin-3-ium-1-ide;3-ethyl-5,7,8,9,10-pentafluoro-2,4,6-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-5,8,9-trifluoro-2,4,6-trimethylthieno[3,2-f]quinoxalin-4-ium;rhenium
• PubChem CID: 158632882
• Molecular Formula: C97H77F28N12ReS+5
• Molecular Weight: 2160.98 g/mol
• Exact Mass: 2160.52
• IUPAC Name: 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-2,3-dimethyl-7,10-bis(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-3-methyl-1H-benzo[f]phthalazin-3-ium-1-ide;3-ethyl-5,7,8,9,10-pentafluoro-2,4,6-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-5,8,9-trifluoro-2,4,6-trimethylthieno[3,2-f]quinoxalin-4-ium;rhenium
• SMILES: CCc1c(C)nc2c3c(F)c(F)c(F)c(F)c3c(C)c(F)c2[n+]1C.CCc1c(C)nc2c3c(F)c(F)sc3c(C)c(F)c2[n+]1C.CCc1c2c(F)c(F)c3c(F)c(F)c(F)c(F)c3c2[c-]n[n+]1C.CCc1c2c(F)c(F)c3c(F)c(F)c(F)c(F)c3c2nc(C)[n+]1C.CCc1c2cc3cc(C(F)(F)F)ccc3c(C(F)(F)F)c2nc(C)[n+]1C.CCc1c2cc3cc(F)ccc3c(F)c2nc(C)[n+]1C.[Re]
• InChI: InChI=1S/C18H15F6N2.C17H14F5N2.C16H11F6N2.C16H15F2N2.C15H8F6N2.C15H14F3N2S.Re/c1-4-14-13-8-10-7-11(17(19,20)21)5-6-12(10)15(18(22,23)24)16(13)25-9(2)26(14)3;1-5-8-7(3)23-16-10-9(6(2)11(18)17(16)24(8)4)12(19)14(21)15(22)13(10)20;1-4-6-7-10(17)11(18)8-9(16(7)23-5(2)24(6)3)13(20)15(22)14(21)12(8)19;1-4-14-13-8-10-7-11(17)5-6-12(10)15(18)16(13)19-9(2)20(14)3;1-3-6-7-5(4-22-23(6)2)8-9(12(18)10(7)16)13(19)15(21)14(20)11(8)17;1-5-8-7(3)19-12-9-11(17)15(18)21-14(9)6(2)10(16)13(12)20(8)4;/h5-8H,4H2,1-3H3;5H2,1-4H3;4H2,1-3H3;5-8H,4H2,1-3H3;3H2,1-2H3;5H2,1-4H3;/q4*+1;;+1
• InChIKey: UYHPHVSEZDRJNT-UHFFFAOYSA-N
• XLogP: 23.77
• TPSA: 100.62 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2160.98
LogP ≤ 5	23.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-2,3-dimethyl-7,10-bis(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-3-methyl-1H-benzo[f]phthalazin-3-ium-1-ide;3-ethyl-5,7,8,9,10-pentafluoro-2,4,6-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-5,8,9-trifluoro-2,4,6-trimethylthieno[3,2-f]quinoxalin-4-ium;rhenium?

The IUPAC name of 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-2,3-dimethyl-7,10-bis(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-3-methyl-1H-benzo[f]phthalazin-3-ium-1-ide;3-ethyl-5,7,8,9,10-pentafluoro-2,4,6-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-5,8,9-trifluoro-2,4,6-trimethylthieno[3,2-f]quinoxalin-4-ium;rhenium (CID 158632882) is 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-2,3-dimethyl-7,10-bis(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-3-methyl-1H-benzo[f]phthalazin-3-ium-1-ide;3-ethyl-5,7,8,9,10-pentafluoro-2,4,6-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-5,8,9-trifluoro-2,4,6-trimethylthieno[3,2-f]quinoxalin-4-ium;rhenium.

What is the SMILES notation for 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-2,3-dimethyl-7,10-bis(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-3-methyl-1H-benzo[f]phthalazin-3-ium-1-ide;3-ethyl-5,7,8,9,10-pentafluoro-2,4,6-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-5,8,9-trifluoro-2,4,6-trimethylthieno[3,2-f]quinoxalin-4-ium;rhenium?

The canonical SMILES for 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-2,3-dimethyl-7,10-bis(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-3-methyl-1H-benzo[f]phthalazin-3-ium-1-ide;3-ethyl-5,7,8,9,10-pentafluoro-2,4,6-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-5,8,9-trifluoro-2,4,6-trimethylthieno[3,2-f]quinoxalin-4-ium;rhenium is CCc1c(C)nc2c3c(F)c(F)c(F)c(F)c3c(C)c(F)c2[n+]1C.CCc1c(C)nc2c3c(F)c(F)sc3c(C)c(F)c2[n+]1C.CCc1c2c(F)c(F)c3c(F)c(F)c(F)c(F)c3c2[c-]n[n+]1C.CCc1c2c(F)c(F)c3c(F)c(F)c(F)c(F)c3c2nc(C)[n+]1C.CCc1c2cc3cc(C(F)(F)F)ccc3c(C(F)(F)F)c2nc(C)[n+]1C.CCc1c2cc3cc(F)ccc3c(F)c2nc(C)[n+]1C.[Re].

What is the InChIKey of 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-2,3-dimethyl-7,10-bis(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-3-methyl-1H-benzo[f]phthalazin-3-ium-1-ide;3-ethyl-5,7,8,9,10-pentafluoro-2,4,6-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-5,8,9-trifluoro-2,4,6-trimethylthieno[3,2-f]quinoxalin-4-ium;rhenium?

The InChIKey is UYHPHVSEZDRJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6N2.C17H14F5N2.C16H11F6N2.C16H15F2N2.C15H8F6N2.C15H14F3N2S.Re/c1-4-14-13-8-10-7-11(17(19,20)21)5-6-12(10)15(18(22,23)24)16(13)25-9(2)26(14)3;1-5-8-7(3)23-16-10-9(6(2)11(18)17(16)24(8)4)12(19)14(21)15(22)13(10)20;1-4-6-7-10(17)11(18)8-9(16(7)23-5(2)24(6)3)13(20)15(22)14(21)12(8)19;1-4-14-13-8-10-7-11(17)5-6-12(10)15(18)16(13)19-9(2)20(14)3;1-3-6-7-5(4-22-23(6)2)8-9(12(18)10(7)16)13(19)15(21)14(20)11(8)17;1-5-8-7(3)19-12-9-11(17)15(18)21-14(9)6(2)10(16)13(12)20(8)4;/h5-8H,4H2,1-3H3;5H2,1-4H3;4H2,1-3H3;5-8H,4H2,1-3H3;3H2,1-2H3;5H2,1-4H3;/q4*+1;;+1;.

What are the key properties of 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-2,3-dimethyl-7,10-bis(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-3-methyl-1H-benzo[f]phthalazin-3-ium-1-ide;3-ethyl-5,7,8,9,10-pentafluoro-2,4,6-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-5,8,9-trifluoro-2,4,6-trimethylthieno[3,2-f]quinoxalin-4-ium;rhenium?

4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-2,3-dimethyl-7,10-bis(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-3-methyl-1H-benzo[f]phthalazin-3-ium-1-ide;3-ethyl-5,7,8,9,10-pentafluoro-2,4,6-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-5,8,9-trifluoro-2,4,6-trimethylthieno[3,2-f]quinoxalin-4-ium;rhenium has a molecular weight of 2160.98 g/mol, XLogP of 23.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-2,3-dimethyl-7,10-bis(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-3-methyl-1H-benzo[f]phthalazin-3-ium-1-ide;3-ethyl-5,7,8,9,10-pentafluoro-2,4,6-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-5,8,9-trifluoro-2,4,6-trimethylthieno[3,2-f]quinoxalin-4-ium;rhenium is sourced from PubChem (CID 158632882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).