3-methyl-2-(1-methyl-4-phenoxynaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(1-methyl-4-thiophen-2-ylnaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(2-methyl-5-thiophen-2-ylphenyl)benzo[g]quinazolin-3-ium;N,N,4-trimethyl-3-(3-methylbenzo[g]quinazolin-3-ium-2-yl)naphthalen-1-amine

C108H87N9OS2+4 — CID 158349561

About 3-methyl-2-(1-methyl-4-phenoxynaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(1-methyl-4-thiophen-2-ylnaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(2-methyl-5-thiophen-2-ylphenyl)benzo[g]quinazolin-3-ium;N,N,4-trimethyl-3-(3-methylbenzo[g]quinazolin-3-ium-2-yl)naphthalen-1-amine

3-methyl-2-(1-methyl-4-phenoxynaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(1-methyl-4-thiophen-2-ylnaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(2-methyl-5-thiophen-2-ylphenyl)benzo[g]quinazolin-3-ium;N,N,4-trimethyl-3-(3-methylbenzo[g]quinazolin-3-ium-2-yl)naphthalen-1-amine (PubChem CID 158349561) has the molecular formula C108H87N9OS2+4 and a molecular weight of 1591.08 g/mol. Its IUPAC name is 3-methyl-2-(1-methyl-4-phenoxynaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(1-methyl-4-thiophen-2-ylnaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(2-methyl-5-thiophen-2-ylphenyl)benzo[g]quinazolin-3-ium;N,N,4-trimethyl-3-(3-methylbenzo[g]quinazolin-3-ium-2-yl)naphthalen-1-amine.

Molecular Properties

• Compound Name: 3-methyl-2-(1-methyl-4-phenoxynaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(1-methyl-4-thiophen-2-ylnaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(2-methyl-5-thiophen-2-ylphenyl)benzo[g]quinazolin-3-ium;N,N,4-trimethyl-3-(3-methylbenzo[g]quinazolin-3-ium-2-yl)naphthalen-1-amine
• PubChem CID: 158349561
• Molecular Formula: C108H87N9OS2+4
• Molecular Weight: 1591.08 g/mol
• Exact Mass: 1589.65
• IUPAC Name: 3-methyl-2-(1-methyl-4-phenoxynaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(1-methyl-4-thiophen-2-ylnaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(2-methyl-5-thiophen-2-ylphenyl)benzo[g]quinazolin-3-ium;N,N,4-trimethyl-3-(3-methylbenzo[g]quinazolin-3-ium-2-yl)naphthalen-1-amine
• SMILES: Cc1c(-c2nc3cc4ccccc4cc3c[n+]2C)cc(-c2cccs2)c2ccccc12.Cc1c(-c2nc3cc4ccccc4cc3c[n+]2C)cc(N(C)C)c2ccccc12.Cc1c(-c2nc3cc4ccccc4cc3c[n+]2C)cc(Oc2ccccc2)c2ccccc12.Cc1ccc(-c2cccs2)cc1-c1nc2cc3ccccc3cc2c[n+]1C
• InChI: InChI=1S/C30H23N2O.C28H21N2S.C26H24N3.C24H19N2S/c1-20-25-14-8-9-15-26(25)29(33-24-12-4-3-5-13-24)18-27(20)30-31-28-17-22-11-7-6-10-21(22)16-23(28)19-32(30)2;1-18-22-10-5-6-11-23(22)25(27-12-7-13-31-27)16-24(18)28-29-26-15-20-9-4-3-8-19(20)14-21(26)17-30(28)2;1-17-21-11-7-8-12-22(21)25(28(2)3)15-23(17)26-27-24-14-19-10-6-5-9-18(19)13-20(24)16-29(26)4;1-16-9-10-19(23-8-5-11-27-23)13-21(16)24-25-22-14-18-7-4-3-6-17(18)12-20(22)15-26(24)2/h3-19H,1-2H3;3-17H,1-2H3;5-16H,1-4H3;3-15H,1-2H3/q4*+1
• InChIKey: HDTDBULXUCNDLZ-UHFFFAOYSA-N
• XLogP: 25.53
• TPSA: 79.55 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1591.08
LogP ≤ 5	25.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1-methyl-4-phenoxynaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(1-methyl-4-thiophen-2-ylnaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(2-methyl-5-thiophen-2-ylphenyl)benzo[g]quinazolin-3-ium;N,N,4-trimethyl-3-(3-methylbenzo[g]quinazolin-3-ium-2-yl)naphthalen-1-amine?

The IUPAC name of 3-methyl-2-(1-methyl-4-phenoxynaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(1-methyl-4-thiophen-2-ylnaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(2-methyl-5-thiophen-2-ylphenyl)benzo[g]quinazolin-3-ium;N,N,4-trimethyl-3-(3-methylbenzo[g]quinazolin-3-ium-2-yl)naphthalen-1-amine (CID 158349561) is 3-methyl-2-(1-methyl-4-phenoxynaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(1-methyl-4-thiophen-2-ylnaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(2-methyl-5-thiophen-2-ylphenyl)benzo[g]quinazolin-3-ium;N,N,4-trimethyl-3-(3-methylbenzo[g]quinazolin-3-ium-2-yl)naphthalen-1-amine.

What is the SMILES notation for 3-methyl-2-(1-methyl-4-phenoxynaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(1-methyl-4-thiophen-2-ylnaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(2-methyl-5-thiophen-2-ylphenyl)benzo[g]quinazolin-3-ium;N,N,4-trimethyl-3-(3-methylbenzo[g]quinazolin-3-ium-2-yl)naphthalen-1-amine?

The canonical SMILES for 3-methyl-2-(1-methyl-4-phenoxynaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(1-methyl-4-thiophen-2-ylnaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(2-methyl-5-thiophen-2-ylphenyl)benzo[g]quinazolin-3-ium;N,N,4-trimethyl-3-(3-methylbenzo[g]quinazolin-3-ium-2-yl)naphthalen-1-amine is Cc1c(-c2nc3cc4ccccc4cc3c[n+]2C)cc(-c2cccs2)c2ccccc12.Cc1c(-c2nc3cc4ccccc4cc3c[n+]2C)cc(N(C)C)c2ccccc12.Cc1c(-c2nc3cc4ccccc4cc3c[n+]2C)cc(Oc2ccccc2)c2ccccc12.Cc1ccc(-c2cccs2)cc1-c1nc2cc3ccccc3cc2c[n+]1C.

What is the InChIKey of 3-methyl-2-(1-methyl-4-phenoxynaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(1-methyl-4-thiophen-2-ylnaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(2-methyl-5-thiophen-2-ylphenyl)benzo[g]quinazolin-3-ium;N,N,4-trimethyl-3-(3-methylbenzo[g]quinazolin-3-ium-2-yl)naphthalen-1-amine?

The InChIKey is HDTDBULXUCNDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N2O.C28H21N2S.C26H24N3.C24H19N2S/c1-20-25-14-8-9-15-26(25)29(33-24-12-4-3-5-13-24)18-27(20)30-31-28-17-22-11-7-6-10-21(22)16-23(28)19-32(30)2;1-18-22-10-5-6-11-23(22)25(27-12-7-13-31-27)16-24(18)28-29-26-15-20-9-4-3-8-19(20)14-21(26)17-30(28)2;1-17-21-11-7-8-12-22(21)25(28(2)3)15-23(17)26-27-24-14-19-10-6-5-9-18(19)13-20(24)16-29(26)4;1-16-9-10-19(23-8-5-11-27-23)13-21(16)24-25-22-14-18-7-4-3-6-17(18)12-20(22)15-26(24)2/h3-19H,1-2H3;3-17H,1-2H3;5-16H,1-4H3;3-15H,1-2H3/q4*+1.

What are the key properties of 3-methyl-2-(1-methyl-4-phenoxynaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(1-methyl-4-thiophen-2-ylnaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(2-methyl-5-thiophen-2-ylphenyl)benzo[g]quinazolin-3-ium;N,N,4-trimethyl-3-(3-methylbenzo[g]quinazolin-3-ium-2-yl)naphthalen-1-amine?

3-methyl-2-(1-methyl-4-phenoxynaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(1-methyl-4-thiophen-2-ylnaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(2-methyl-5-thiophen-2-ylphenyl)benzo[g]quinazolin-3-ium;N,N,4-trimethyl-3-(3-methylbenzo[g]quinazolin-3-ium-2-yl)naphthalen-1-amine has a molecular weight of 1591.08 g/mol, XLogP of 25.53, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-2-(1-methyl-4-phenoxynaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(1-methyl-4-thiophen-2-ylnaphthalen-2-yl)benzo[g]quinazolin-3-ium;3-methyl-2-(2-methyl-5-thiophen-2-ylphenyl)benzo[g]quinazolin-3-ium;N,N,4-trimethyl-3-(3-methylbenzo[g]quinazolin-3-ium-2-yl)naphthalen-1-amine is sourced from PubChem (CID 158349561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).