5,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-5-(trideuteriomethyl)indeno[1,2-b]pyridine;6-(1,5-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;6-(1,6-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;7'-methyl-8'-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];5,5,7-trimethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[1,2-b]pyridine

C112H117N10+5 — CID 158541667

About 5,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-5-(trideuteriomethyl)indeno[1,2-b]pyridine;6-(1,5-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;6-(1,6-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;7'-methyl-8'-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];5,5,7-trimethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[1,2-b]pyridine

5,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-5-(trideuteriomethyl)indeno[1,2-b]pyridine;6-(1,5-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;6-(1,6-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;7'-methyl-8'-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];5,5,7-trimethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[1,2-b]pyridine (PubChem CID 158541667) has the molecular formula C112H117N10+5 and a molecular weight of 1610.28 g/mol. Its IUPAC name is 5,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-5-(trideuteriomethyl)indeno[1,2-b]pyridine;6-(1,5-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;6-(1,6-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;7'-methyl-8'-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];5,5,7-trimethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[1,2-b]pyridine.

Molecular Properties

• Compound Name: 5,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-5-(trideuteriomethyl)indeno[1,2-b]pyridine;6-(1,5-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;6-(1,6-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;7'-methyl-8'-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];5,5,7-trimethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[1,2-b]pyridine
• PubChem CID: 158541667
• Molecular Formula: C112H117N10+5
• Molecular Weight: 1610.28 g/mol
• Exact Mass: 1608.99
• IUPAC Name: 5,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-5-(trideuteriomethyl)indeno[1,2-b]pyridine;6-(1,5-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;6-(1,6-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;7'-methyl-8'-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];5,5,7-trimethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[1,2-b]pyridine
• SMILES: Cc1ccc(-c2c(C)ccc3c2C(C)(C)c2cccnc2-3)[n+](C)c1.Cc1ccc2c(c1-c1cccc(C)[n+]1C)C(C)(C)c1cccnc1-2.Cc1ccc2c(c1-c1cccc[n+]1C)C(C)(C)c1cccnc1-2.[2H]C([2H])([2H])C([2H])(C)c1cc[n+](C)c(-c2c(C)ccc3c2C2(CCCC2)c2ncccc2-3)c1.[2H]C([2H])([2H])C1(C)c2cccnc2-c2ccc(C)c(-c3cccc[n+]3C)c21
• InChI: InChI=1S/C26H29N2.2C22H23N2.2C21H21N2/c1-17(2)19-11-15-28(4)22(16-19)23-18(3)9-10-20-21-8-7-14-27-25(21)26(24(20)23)12-5-6-13-26;1-14-11-12-16-20(19(14)18-10-6-8-15(2)24(18)5)22(3,4)17-9-7-13-23-21(16)17;1-14-8-11-18(24(5)13-14)19-15(2)9-10-16-20(19)22(3,4)17-7-6-12-23-21(16)17;2*1-14-10-11-15-19(18(14)17-9-5-6-13-23(17)4)21(2,3)16-8-7-12-22-20(15)16/h7-11,14-17H,5-6,12-13H2,1-4H3;2*6-13H,1-5H3;2*5-13H,1-4H3/q5*+1/i1D3,17D;;;2D3
• InChIKey: IMMKTFACQLJLCW-SGTCLXMKSA-N
• XLogP: 23.21
• TPSA: 83.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1610.28
LogP ≤ 5	23.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-5-(trideuteriomethyl)indeno[1,2-b]pyridine;6-(1,5-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;6-(1,6-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;7'-methyl-8'-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];5,5,7-trimethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[1,2-b]pyridine?

The IUPAC name of 5,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-5-(trideuteriomethyl)indeno[1,2-b]pyridine;6-(1,5-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;6-(1,6-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;7'-methyl-8'-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];5,5,7-trimethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[1,2-b]pyridine (CID 158541667) is 5,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-5-(trideuteriomethyl)indeno[1,2-b]pyridine;6-(1,5-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;6-(1,6-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;7'-methyl-8'-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];5,5,7-trimethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[1,2-b]pyridine.

What is the SMILES notation for 5,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-5-(trideuteriomethyl)indeno[1,2-b]pyridine;6-(1,5-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;6-(1,6-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;7'-methyl-8'-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];5,5,7-trimethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[1,2-b]pyridine?

The canonical SMILES for 5,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-5-(trideuteriomethyl)indeno[1,2-b]pyridine;6-(1,5-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;6-(1,6-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;7'-methyl-8'-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];5,5,7-trimethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[1,2-b]pyridine is Cc1ccc(-c2c(C)ccc3c2C(C)(C)c2cccnc2-3)[n+](C)c1.Cc1ccc2c(c1-c1cccc(C)[n+]1C)C(C)(C)c1cccnc1-2.Cc1ccc2c(c1-c1cccc[n+]1C)C(C)(C)c1cccnc1-2.[2H]C([2H])([2H])C([2H])(C)c1cc[n+](C)c(-c2c(C)ccc3c2C2(CCCC2)c2ncccc2-3)c1.[2H]C([2H])([2H])C1(C)c2cccnc2-c2ccc(C)c(-c3cccc[n+]3C)c21.

What is the InChIKey of 5,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-5-(trideuteriomethyl)indeno[1,2-b]pyridine;6-(1,5-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;6-(1,6-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;7'-methyl-8'-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];5,5,7-trimethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[1,2-b]pyridine?

The InChIKey is IMMKTFACQLJLCW-SGTCLXMKSA-N. The full InChI is InChI=1S/C26H29N2.2C22H23N2.2C21H21N2/c1-17(2)19-11-15-28(4)22(16-19)23-18(3)9-10-20-21-8-7-14-27-25(21)26(24(20)23)12-5-6-13-26;1-14-11-12-16-20(19(14)18-10-6-8-15(2)24(18)5)22(3,4)17-9-7-13-23-21(16)17;1-14-8-11-18(24(5)13-14)19-15(2)9-10-16-20(19)22(3,4)17-7-6-12-23-21(16)17;2*1-14-10-11-15-19(18(14)17-9-5-6-13-23(17)4)21(2,3)16-8-7-12-22-20(15)16/h7-11,14-17H,5-6,12-13H2,1-4H3;2*6-13H,1-5H3;2*5-13H,1-4H3/q5*+1/i1D3,17D;;;2D3;.

What are the key properties of 5,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-5-(trideuteriomethyl)indeno[1,2-b]pyridine;6-(1,5-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;6-(1,6-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;7'-methyl-8'-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];5,5,7-trimethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[1,2-b]pyridine?

5,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-5-(trideuteriomethyl)indeno[1,2-b]pyridine;6-(1,5-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;6-(1,6-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;7'-methyl-8'-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];5,5,7-trimethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[1,2-b]pyridine has a molecular weight of 1610.28 g/mol, XLogP of 23.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-5-(trideuteriomethyl)indeno[1,2-b]pyridine;6-(1,5-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;6-(1,6-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;7'-methyl-8'-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];5,5,7-trimethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[1,2-b]pyridine is sourced from PubChem (CID 158541667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).