1-[5-tert-butyl-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[2,5-dimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[5-isocyano-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;2-methyl-1-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indazol-2-ium;2-methyl-1-[2,4,6-trimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]indazol-2-ium

C₁₁₇H₁₂₀N₁₆+10 — CID 159067875

About 1-[5-tert-butyl-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[2,5-dimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[5-isocyano-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;2-methyl-1-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indazol-2-ium;2-methyl-1-[2,4,6-trimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]indazol-2-ium

1-[5-tert-butyl-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[2,5-dimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[5-isocyano-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;2-methyl-1-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indazol-2-ium;2-methyl-1-[2,4,6-trimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]indazol-2-ium (PubChem CID 159067875) has the molecular formula C₁₁₇H₁₂₀N₁₆+10 and a molecular weight of 1750.36 g/mol. Its IUPAC name is 1-[5-tert-butyl-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[2,5-dimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[5-isocyano-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;2-methyl-1-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indazol-2-ium;2-methyl-1-[2,4,6-trimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]indazol-2-ium.

Molecular Properties

• Compound Name: 1-[5-tert-butyl-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[2,5-dimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[5-isocyano-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;2-methyl-1-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indazol-2-ium;2-methyl-1-[2,4,6-trimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]indazol-2-ium
• PubChem CID: 159067875
• Molecular Formula: C₁₁₇H₁₂₀N₁₆+10
• Molecular Weight: 1750.36 g/mol
• Exact Mass: 1748.98
• IUPAC Name: 1-[5-tert-butyl-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[2,5-dimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[5-isocyano-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;2-methyl-1-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indazol-2-ium;2-methyl-1-[2,4,6-trimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]indazol-2-ium
• SMILES: Cc1c(-[n+]2ccccc2C)cc2ccccc2c1-n1c2ccccc2c[n+]1C.Cc1c(-n2c3ccccc3c[n+]2C)cc(C(C)(C)C)cc1-[n+]1ccccc1C.Cc1cc(-n2c3ccccc3c[n+]2C)c(C)c(-[n+]2ccccc2C)c1.Cc1cc(C)c(-[n+]2ccccc2C)c(C)c1-n1c2ccccc2c[n+]1C.[C-]#[N+]c1cc(-n2c3ccccc3c[n+]2C)c(C)c(-[n+]2ccccc2C)c1
• InChI: InChI=1S/C25H23N3.C25H29N3.C23H25N3.C22H20N4.C22H23N3/c1-18-10-8-9-15-27(18)24-16-20-11-4-6-13-22(20)25(19(24)2)28-23-14-7-5-12-21(23)17-26(28)3;1-18-11-9-10-14-27(18)23-15-21(25(3,4)5)16-24(19(23)2)28-22-13-8-7-12-20(22)17-26(28)6;1-16-14-17(2)23(19(4)22(16)25-13-9-8-10-18(25)3)26-21-12-7-6-11-20(21)15-24(26)5;1-16-9-7-8-12-25(16)21-13-19(23-3)14-22(17(21)2)26-20-11-6-5-10-18(20)15-24(26)4;1-16-13-21(24-12-8-7-9-17(24)2)18(3)22(14-16)25-20-11-6-5-10-19(20)15-23(25)4/h4-17H,1-3H3;7-17H,1-6H3;6-15H,1-5H3;5-15H,1-2,4H3;5-15H,1-4H3/q5*+2
• InChIKey: ZVCBNRKCJRFTEX-UHFFFAOYSA-N
• XLogP: 20.67
• TPSA: 67.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1750.36
LogP ≤ 5	20.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-tert-butyl-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[2,5-dimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[5-isocyano-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;2-methyl-1-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indazol-2-ium;2-methyl-1-[2,4,6-trimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]indazol-2-ium?

The IUPAC name of 1-[5-tert-butyl-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[2,5-dimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[5-isocyano-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;2-methyl-1-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indazol-2-ium;2-methyl-1-[2,4,6-trimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]indazol-2-ium (CID 159067875) is 1-[5-tert-butyl-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[2,5-dimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[5-isocyano-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;2-methyl-1-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indazol-2-ium;2-methyl-1-[2,4,6-trimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]indazol-2-ium.

What is the SMILES notation for 1-[5-tert-butyl-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[2,5-dimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[5-isocyano-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;2-methyl-1-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indazol-2-ium;2-methyl-1-[2,4,6-trimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]indazol-2-ium?

The canonical SMILES for 1-[5-tert-butyl-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[2,5-dimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[5-isocyano-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;2-methyl-1-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indazol-2-ium;2-methyl-1-[2,4,6-trimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]indazol-2-ium is Cc1c(-[n+]2ccccc2C)cc2ccccc2c1-n1c2ccccc2c[n+]1C.Cc1c(-n2c3ccccc3c[n+]2C)cc(C(C)(C)C)cc1-[n+]1ccccc1C.Cc1cc(-n2c3ccccc3c[n+]2C)c(C)c(-[n+]2ccccc2C)c1.Cc1cc(C)c(-[n+]2ccccc2C)c(C)c1-n1c2ccccc2c[n+]1C.[C-]#[N+]c1cc(-n2c3ccccc3c[n+]2C)c(C)c(-[n+]2ccccc2C)c1.

What is the InChIKey of 1-[5-tert-butyl-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[2,5-dimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[5-isocyano-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;2-methyl-1-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indazol-2-ium;2-methyl-1-[2,4,6-trimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]indazol-2-ium?

The InChIKey is ZVCBNRKCJRFTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3.C25H29N3.C23H25N3.C22H20N4.C22H23N3/c1-18-10-8-9-15-27(18)24-16-20-11-4-6-13-22(20)25(19(24)2)28-23-14-7-5-12-21(23)17-26(28)3;1-18-11-9-10-14-27(18)23-15-21(25(3,4)5)16-24(19(23)2)28-22-13-8-7-12-20(22)17-26(28)6;1-16-14-17(2)23(19(4)22(16)25-13-9-8-10-18(25)3)26-21-12-7-6-11-20(21)15-24(26)5;1-16-9-7-8-12-25(16)21-13-19(23-3)14-22(17(21)2)26-20-11-6-5-10-18(20)15-24(26)4;1-16-13-21(24-12-8-7-9-17(24)2)18(3)22(14-16)25-20-11-6-5-10-19(20)15-23(25)4/h4-17H,1-3H3;7-17H,1-6H3;6-15H,1-5H3;5-15H,1-2,4H3;5-15H,1-4H3/q5*+2.

What are the key properties of 1-[5-tert-butyl-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[2,5-dimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[5-isocyano-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;2-methyl-1-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indazol-2-ium;2-methyl-1-[2,4,6-trimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]indazol-2-ium?

1-[5-tert-butyl-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[2,5-dimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[5-isocyano-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;2-methyl-1-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indazol-2-ium;2-methyl-1-[2,4,6-trimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]indazol-2-ium has a molecular weight of 1750.36 g/mol, XLogP of 20.67, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-tert-butyl-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[2,5-dimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[5-isocyano-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;2-methyl-1-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indazol-2-ium;2-methyl-1-[2,4,6-trimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]indazol-2-ium is sourced from PubChem (CID 159067875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159067875 — identifiers, structure, computed properties (public domain)

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