1,3-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]indole;2-methyl-1-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;2-methyl-3-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;1-methyl-2-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)naphthalen-2-yl]-3-propan-2-ylindole

C108H100N8+4 — CID 158134503

About 1,3-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]indole;2-methyl-1-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;2-methyl-3-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;1-methyl-2-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)naphthalen-2-yl]-3-propan-2-ylindole

1,3-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]indole;2-methyl-1-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;2-methyl-3-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;1-methyl-2-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)naphthalen-2-yl]-3-propan-2-ylindole (PubChem CID 158134503) has the molecular formula C108H100N8+4 and a molecular weight of 1510.04 g/mol. Its IUPAC name is 1,3-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]indole;2-methyl-1-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;2-methyl-3-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;1-methyl-2-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)naphthalen-2-yl]-3-propan-2-ylindole.

Molecular Properties

• Compound Name: 1,3-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]indole;2-methyl-1-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;2-methyl-3-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;1-methyl-2-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)naphthalen-2-yl]-3-propan-2-ylindole
• PubChem CID: 158134503
• Molecular Formula: C108H100N8+4
• Molecular Weight: 1510.04 g/mol
• Exact Mass: 1508.80
• IUPAC Name: 1,3-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]indole;2-methyl-1-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;2-methyl-3-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;1-methyl-2-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)naphthalen-2-yl]-3-propan-2-ylindole
• SMILES: Cc1c(-c2c(C(C)C)c3ccccc3n2C)cc2ccccc2c1-c1cccc[n+]1C.Cc1c(-c2cc3ccccc3n2C)cccc1-c1c2ccccc2cc[n+]1C.Cc1c(-c2cc3ccccc3n2C)cccc1-c1cc2ccccc2c[n+]1C.Cc1c(-c2cccc[n+]2C)cc2ccccc2c1-c1c(C)c2ccccc2n1C
• InChI: InChI=1S/C29H29N2.C27H25N2.2C26H23N2/c1-19(2)27-23-14-8-9-15-25(23)31(5)29(27)24-18-21-12-6-7-13-22(21)28(20(24)3)26-16-10-11-17-30(26)4;1-18-23(24-14-9-10-16-28(24)3)17-20-11-5-6-13-22(20)26(18)27-19(2)21-12-7-8-15-25(21)29(27)4;1-18-21(25-17-20-10-5-7-14-24(20)28(25)3)12-8-13-22(18)26-23-11-6-4-9-19(23)15-16-27(26)2;1-18-22(25-15-19-9-4-5-11-21(19)17-27(25)2)12-8-13-23(18)26-16-20-10-6-7-14-24(20)28(26)3/h6-19H,1-5H3;5-17H,1-4H3;2*4-17H,1-3H3/q4*+1
• InChIKey: ZWSMKKQICDDTQV-UHFFFAOYSA-N
• XLogP: 24.63
• TPSA: 35.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1510.04
LogP ≤ 5	24.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]indole;2-methyl-1-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;2-methyl-3-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;1-methyl-2-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)naphthalen-2-yl]-3-propan-2-ylindole?

The IUPAC name of 1,3-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]indole;2-methyl-1-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;2-methyl-3-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;1-methyl-2-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)naphthalen-2-yl]-3-propan-2-ylindole (CID 158134503) is 1,3-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]indole;2-methyl-1-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;2-methyl-3-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;1-methyl-2-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)naphthalen-2-yl]-3-propan-2-ylindole.

What is the SMILES notation for 1,3-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]indole;2-methyl-1-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;2-methyl-3-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;1-methyl-2-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)naphthalen-2-yl]-3-propan-2-ylindole?

The canonical SMILES for 1,3-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]indole;2-methyl-1-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;2-methyl-3-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;1-methyl-2-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)naphthalen-2-yl]-3-propan-2-ylindole is Cc1c(-c2c(C(C)C)c3ccccc3n2C)cc2ccccc2c1-c1cccc[n+]1C.Cc1c(-c2cc3ccccc3n2C)cccc1-c1c2ccccc2cc[n+]1C.Cc1c(-c2cc3ccccc3n2C)cccc1-c1cc2ccccc2c[n+]1C.Cc1c(-c2cccc[n+]2C)cc2ccccc2c1-c1c(C)c2ccccc2n1C.

What is the InChIKey of 1,3-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]indole;2-methyl-1-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;2-methyl-3-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;1-methyl-2-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)naphthalen-2-yl]-3-propan-2-ylindole?

The InChIKey is ZWSMKKQICDDTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N2.C27H25N2.2C26H23N2/c1-19(2)27-23-14-8-9-15-25(23)31(5)29(27)24-18-21-12-6-7-13-22(21)28(20(24)3)26-16-10-11-17-30(26)4;1-18-23(24-14-9-10-16-28(24)3)17-20-11-5-6-13-22(20)26(18)27-19(2)21-12-7-8-15-25(21)29(27)4;1-18-21(25-17-20-10-5-7-14-24(20)28(25)3)12-8-13-22(18)26-23-11-6-4-9-19(23)15-16-27(26)2;1-18-22(25-15-19-9-4-5-11-21(19)17-27(25)2)12-8-13-23(18)26-16-20-10-6-7-14-24(20)28(26)3/h6-19H,1-5H3;5-17H,1-4H3;2*4-17H,1-3H3/q4*+1.

What are the key properties of 1,3-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]indole;2-methyl-1-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;2-methyl-3-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;1-methyl-2-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)naphthalen-2-yl]-3-propan-2-ylindole?

1,3-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]indole;2-methyl-1-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;2-methyl-3-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;1-methyl-2-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)naphthalen-2-yl]-3-propan-2-ylindole has a molecular weight of 1510.04 g/mol, XLogP of 24.63, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)naphthalen-1-yl]indole;2-methyl-1-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;2-methyl-3-[2-methyl-3-(1-methylindol-2-yl)phenyl]isoquinolin-2-ium;1-methyl-2-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)naphthalen-2-yl]-3-propan-2-ylindole is sourced from PubChem (CID 158134503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).