3,8-dimethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium;2-(4-methoxy-2-methylphenyl)-3-methylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-7-propan-2-ylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-8-(trifluoromethyl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzo[h]quinazolin-3-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]benzo[h]quinazolin-3-ium;3,6,8,9-tetramethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium

C178H158F6N16O+8 — CID 158471302

About 3,8-dimethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium;2-(4-methoxy-2-methylphenyl)-3-methylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-7-propan-2-ylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-8-(trifluoromethyl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzo[h]quinazolin-3-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]benzo[h]quinazolin-3-ium;3,6,8,9-tetramethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium

3,8-dimethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium;2-(4-methoxy-2-methylphenyl)-3-methylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-7-propan-2-ylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-8-(trifluoromethyl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzo[h]quinazolin-3-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]benzo[h]quinazolin-3-ium;3,6,8,9-tetramethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium (PubChem CID 158471302) has the molecular formula C178H158F6N16O+8 and a molecular weight of 2651.32 g/mol. Its IUPAC name is 3,8-dimethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium;2-(4-methoxy-2-methylphenyl)-3-methylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-7-propan-2-ylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-8-(trifluoromethyl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzo[h]quinazolin-3-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]benzo[h]quinazolin-3-ium;3,6,8,9-tetramethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium.

Molecular Properties

• Compound Name: 3,8-dimethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium;2-(4-methoxy-2-methylphenyl)-3-methylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-7-propan-2-ylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-8-(trifluoromethyl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzo[h]quinazolin-3-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]benzo[h]quinazolin-3-ium;3,6,8,9-tetramethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium
• PubChem CID: 158471302
• Molecular Formula: C178H158F6N16O+8
• Molecular Weight: 2651.32 g/mol
• Exact Mass: 2649.27
• IUPAC Name: 3,8-dimethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium;2-(4-methoxy-2-methylphenyl)-3-methylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-7-propan-2-ylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-8-(trifluoromethyl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzo[h]quinazolin-3-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]benzo[h]quinazolin-3-ium;3,6,8,9-tetramethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium
• SMILES: COc1ccc(-c2nc3c(ccc4ccccc43)c[n+]2C)c(C)c1.Cc1cc(C(F)(F)F)ccc1-c1nc2c(ccc3ccccc32)c[n+]1C.Cc1cc2c(C)cc3c[n+](C)c(-c4ccccc4C)nc3c2cc1C.Cc1ccc2c(c1-c1nc3c(ccc4ccccc43)c[n+]1C)CCCC2.Cc1ccc2c(ccc3c[n+](C)c(-c4ccccc4C)nc32)c1.Cc1ccc2ccccc2c1-c1nc2ccc3ccccc3c2c[n+]1C.Cc1ccccc1-c1nc2c(ccc3c(C(C)C)cccc32)c[n+]1C.Cc1ccccc1-c1nc2ccc3cc(C(F)(F)F)ccc3c2c[n+]1C
• InChI: InChI=1S/C24H19N2.C24H23N2.2C23H23N2.2C21H16F3N2.C21H19N2O.C21H19N2/c1-16-11-12-18-8-4-6-10-20(18)23(16)24-25-22-14-13-17-7-3-5-9-19(17)21(22)15-26(24)2;1-16-11-12-17-7-3-5-9-20(17)22(16)24-25-23-19(15-26(24)2)14-13-18-8-4-6-10-21(18)23;1-14-8-6-7-9-19(14)23-24-22-18(13-25(23)5)10-17(4)20-11-15(2)16(3)12-21(20)22;1-15(2)18-10-7-11-21-20(18)13-12-17-14-25(4)23(24-22(17)21)19-9-6-5-8-16(19)3;1-13-5-3-4-6-16(13)20-25-19-10-7-14-11-15(21(22,23)24)8-9-17(14)18(19)12-26(20)2;1-13-11-16(21(22,23)24)9-10-17(13)20-25-19-15(12-26(20)2)8-7-14-5-3-4-6-18(14)19;1-14-12-17(24-3)10-11-18(14)21-22-20-16(13-23(21)2)9-8-15-6-4-5-7-19(15)20;1-14-8-11-19-16(12-14)9-10-17-13-23(3)21(22-20(17)19)18-7-5-4-6-15(18)2/h3-15H,1-2H3;4,6,8,10-15H,3,5,7,9H2,1-2H3;6-13H,1-5H3;5-15H,1-4H3;2*3-12H,1-2H3;4-13H,1-3H3;4-13H,1-3H3/q8*+1
• InChIKey: DDTCLDHCKLWSBD-UHFFFAOYSA-N
• XLogP: 39.94
• TPSA: 143.39 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2651.32
LogP ≤ 5	39.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium;2-(4-methoxy-2-methylphenyl)-3-methylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-7-propan-2-ylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-8-(trifluoromethyl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzo[h]quinazolin-3-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]benzo[h]quinazolin-3-ium;3,6,8,9-tetramethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium?

The IUPAC name of 3,8-dimethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium;2-(4-methoxy-2-methylphenyl)-3-methylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-7-propan-2-ylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-8-(trifluoromethyl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzo[h]quinazolin-3-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]benzo[h]quinazolin-3-ium;3,6,8,9-tetramethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium (CID 158471302) is 3,8-dimethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium;2-(4-methoxy-2-methylphenyl)-3-methylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-7-propan-2-ylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-8-(trifluoromethyl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzo[h]quinazolin-3-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]benzo[h]quinazolin-3-ium;3,6,8,9-tetramethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium.

What is the SMILES notation for 3,8-dimethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium;2-(4-methoxy-2-methylphenyl)-3-methylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-7-propan-2-ylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-8-(trifluoromethyl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzo[h]quinazolin-3-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]benzo[h]quinazolin-3-ium;3,6,8,9-tetramethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium?

The canonical SMILES for 3,8-dimethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium;2-(4-methoxy-2-methylphenyl)-3-methylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-7-propan-2-ylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-8-(trifluoromethyl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzo[h]quinazolin-3-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]benzo[h]quinazolin-3-ium;3,6,8,9-tetramethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium is COc1ccc(-c2nc3c(ccc4ccccc43)c[n+]2C)c(C)c1.Cc1cc(C(F)(F)F)ccc1-c1nc2c(ccc3ccccc32)c[n+]1C.Cc1cc2c(C)cc3c[n+](C)c(-c4ccccc4C)nc3c2cc1C.Cc1ccc2c(c1-c1nc3c(ccc4ccccc43)c[n+]1C)CCCC2.Cc1ccc2c(ccc3c[n+](C)c(-c4ccccc4C)nc32)c1.Cc1ccc2ccccc2c1-c1nc2ccc3ccccc3c2c[n+]1C.Cc1ccccc1-c1nc2c(ccc3c(C(C)C)cccc32)c[n+]1C.Cc1ccccc1-c1nc2ccc3cc(C(F)(F)F)ccc3c2c[n+]1C.

What is the InChIKey of 3,8-dimethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium;2-(4-methoxy-2-methylphenyl)-3-methylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-7-propan-2-ylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-8-(trifluoromethyl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzo[h]quinazolin-3-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]benzo[h]quinazolin-3-ium;3,6,8,9-tetramethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium?

The InChIKey is DDTCLDHCKLWSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N2.C24H23N2.2C23H23N2.2C21H16F3N2.C21H19N2O.C21H19N2/c1-16-11-12-18-8-4-6-10-20(18)23(16)24-25-22-14-13-17-7-3-5-9-19(17)21(22)15-26(24)2;1-16-11-12-17-7-3-5-9-20(17)22(16)24-25-23-19(15-26(24)2)14-13-18-8-4-6-10-21(18)23;1-14-8-6-7-9-19(14)23-24-22-18(13-25(23)5)10-17(4)20-11-15(2)16(3)12-21(20)22;1-15(2)18-10-7-11-21-20(18)13-12-17-14-25(4)23(24-22(17)21)19-9-6-5-8-16(19)3;1-13-5-3-4-6-16(13)20-25-19-10-7-14-11-15(21(22,23)24)8-9-17(14)18(19)12-26(20)2;1-13-11-16(21(22,23)24)9-10-17(13)20-25-19-15(12-26(20)2)8-7-14-5-3-4-6-18(14)19;1-14-12-17(24-3)10-11-18(14)21-22-20-16(13-23(21)2)9-8-15-6-4-5-7-19(15)20;1-14-8-11-19-16(12-14)9-10-17-13-23(3)21(22-20(17)19)18-7-5-4-6-15(18)2/h3-15H,1-2H3;4,6,8,10-15H,3,5,7,9H2,1-2H3;6-13H,1-5H3;5-15H,1-4H3;2*3-12H,1-2H3;4-13H,1-3H3;4-13H,1-3H3/q8*+1.

What are the key properties of 3,8-dimethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium;2-(4-methoxy-2-methylphenyl)-3-methylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-7-propan-2-ylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-8-(trifluoromethyl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzo[h]quinazolin-3-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]benzo[h]quinazolin-3-ium;3,6,8,9-tetramethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium?

3,8-dimethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium;2-(4-methoxy-2-methylphenyl)-3-methylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-7-propan-2-ylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-8-(trifluoromethyl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzo[h]quinazolin-3-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]benzo[h]quinazolin-3-ium;3,6,8,9-tetramethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium has a molecular weight of 2651.32 g/mol, XLogP of 39.94, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3,8-dimethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium;2-(4-methoxy-2-methylphenyl)-3-methylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-7-propan-2-ylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-8-(trifluoromethyl)benzo[f]quinazolin-2-ium;3-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzo[h]quinazolin-3-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]benzo[h]quinazolin-3-ium;3,6,8,9-tetramethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium is sourced from PubChem (CID 158471302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).