2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-phenylbenzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-4-phenylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]benzo[f]quinazolin-2-ium

C₁₃₂H₁₀₈F₃N₁₀+5 — CID 159467381

About 2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-phenylbenzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-4-phenylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]benzo[f]quinazolin-2-ium

2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-phenylbenzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-4-phenylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]benzo[f]quinazolin-2-ium (PubChem CID 159467381) has the molecular formula C₁₃₂H₁₀₈F₃N₁₀+5 and a molecular weight of 1891.38 g/mol. Its IUPAC name is 2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-phenylbenzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-4-phenylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]benzo[f]quinazolin-2-ium.

Molecular Properties

• Compound Name: 2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-phenylbenzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-4-phenylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]benzo[f]quinazolin-2-ium
• PubChem CID: 159467381
• Molecular Formula: C₁₃₂H₁₀₈F₃N₁₀+5
• Molecular Weight: 1891.38 g/mol
• Exact Mass: 1889.87
• IUPAC Name: 2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-phenylbenzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-4-phenylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]benzo[f]quinazolin-2-ium
• SMILES: Cc1ccc2ccccc2c1-c1nc2ccc3ccccc3c2c[n+]1C.Cc1ccccc1-c1nc2c(ccc3ccccc32)c(-c2ccccc2)[n+]1C.Cc1ccccc1-c1nc2cc(-c3ccc(C(C)C)cc3)c3ccccc3c2c[n+]1C.Cc1ccccc1-c1nc2cc(-c3ccc(C(F)(F)F)cc3)c3ccccc3c2c[n+]1C.Cc1ccccc1-c1nc2cc(-c3ccccc3)c3ccccc3c2c[n+]1C
• InChI: InChI=1S/C29H27N2.C27H20F3N2.2C26H21N2.C24H19N2/c1-19(2)21-13-15-22(16-14-21)26-17-28-27(25-12-8-7-11-24(25)26)18-31(4)29(30-28)23-10-6-5-9-20(23)3;1-17-7-3-4-8-20(17)26-31-25-15-23(18-11-13-19(14-12-18)27(28,29)30)21-9-5-6-10-22(21)24(25)16-32(26)2;1-18-10-6-8-14-21(18)26-27-24-22-15-9-7-11-19(22)16-17-23(24)25(28(26)2)20-12-4-3-5-13-20;1-18-10-6-7-13-20(18)26-27-25-16-23(19-11-4-3-5-12-19)21-14-8-9-15-22(21)24(25)17-28(26)2;1-16-11-12-18-8-4-6-10-20(18)23(16)24-25-22-14-13-17-7-3-5-9-19(17)21(22)15-26(24)2/h5-19H,1-4H3;3-16H,1-2H3;2*3-17H,1-2H3;3-15H,1-2H3/q5*+1
• InChIKey: YFIBUIBJUACHRC-UHFFFAOYSA-N
• XLogP: 30.90
• TPSA: 83.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1891.38
LogP ≤ 5	30.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-phenylbenzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-4-phenylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]benzo[f]quinazolin-2-ium?

The IUPAC name of 2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-phenylbenzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-4-phenylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]benzo[f]quinazolin-2-ium (CID 159467381) is 2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-phenylbenzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-4-phenylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]benzo[f]quinazolin-2-ium.

What is the SMILES notation for 2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-phenylbenzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-4-phenylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]benzo[f]quinazolin-2-ium?

The canonical SMILES for 2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-phenylbenzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-4-phenylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]benzo[f]quinazolin-2-ium is Cc1ccc2ccccc2c1-c1nc2ccc3ccccc3c2c[n+]1C.Cc1ccccc1-c1nc2c(ccc3ccccc32)c(-c2ccccc2)[n+]1C.Cc1ccccc1-c1nc2cc(-c3ccc(C(C)C)cc3)c3ccccc3c2c[n+]1C.Cc1ccccc1-c1nc2cc(-c3ccc(C(F)(F)F)cc3)c3ccccc3c2c[n+]1C.Cc1ccccc1-c1nc2cc(-c3ccccc3)c3ccccc3c2c[n+]1C.

What is the InChIKey of 2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-phenylbenzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-4-phenylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]benzo[f]quinazolin-2-ium?

The InChIKey is YFIBUIBJUACHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N2.C27H20F3N2.2C26H21N2.C24H19N2/c1-19(2)21-13-15-22(16-14-21)26-17-28-27(25-12-8-7-11-24(25)26)18-31(4)29(30-28)23-10-6-5-9-20(23)3;1-17-7-3-4-8-20(17)26-31-25-15-23(18-11-13-19(14-12-18)27(28,29)30)21-9-5-6-10-22(21)24(25)16-32(26)2;1-18-10-6-8-14-21(18)26-27-24-22-15-9-7-11-19(22)16-17-23(24)25(28(26)2)20-12-4-3-5-13-20;1-18-10-6-7-13-20(18)26-27-25-16-23(19-11-4-3-5-12-19)21-14-8-9-15-22(21)24(25)17-28(26)2;1-16-11-12-18-8-4-6-10-20(18)23(16)24-25-22-14-13-17-7-3-5-9-19(17)21(22)15-26(24)2/h5-19H,1-4H3;3-16H,1-2H3;2*3-17H,1-2H3;3-15H,1-2H3/q5*+1.

What are the key properties of 2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-phenylbenzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-4-phenylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]benzo[f]quinazolin-2-ium?

2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-phenylbenzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-4-phenylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]benzo[f]quinazolin-2-ium has a molecular weight of 1891.38 g/mol, XLogP of 30.90, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-(2-methylnaphthalen-1-yl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-phenylbenzo[f]quinazolin-2-ium;3-methyl-2-(2-methylphenyl)-4-phenylbenzo[h]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazolin-2-ium;2-methyl-3-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]benzo[f]quinazolin-2-ium is sourced from PubChem (CID 159467381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159467381 — identifiers, structure, computed properties (public domain)

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