2,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9,9-bis(trideuteriomethyl)indeno[2,1-b]pyridine;2',7'-dimethyl-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];6-(1,6-dimethylpyridin-1-ium-2-yl)-2,7,9,9-tetramethylindeno[2,1-b]pyridine;2,7,9,9-tetramethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine

C94H102N8+4 — CID 157269894

About 2,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9,9-bis(trideuteriomethyl)indeno[2,1-b]pyridine;2',7'-dimethyl-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];6-(1,6-dimethylpyridin-1-ium-2-yl)-2,7,9,9-tetramethylindeno[2,1-b]pyridine;2,7,9,9-tetramethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine

2,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9,9-bis(trideuteriomethyl)indeno[2,1-b]pyridine;2',7'-dimethyl-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];6-(1,6-dimethylpyridin-1-ium-2-yl)-2,7,9,9-tetramethylindeno[2,1-b]pyridine;2,7,9,9-tetramethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine (PubChem CID 157269894) has the molecular formula C94H102N8+4 and a molecular weight of 1353.97 g/mol. Its IUPAC name is 2,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9,9-bis(trideuteriomethyl)indeno[2,1-b]pyridine;2',7'-dimethyl-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];6-(1,6-dimethylpyridin-1-ium-2-yl)-2,7,9,9-tetramethylindeno[2,1-b]pyridine;2,7,9,9-tetramethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine.

Molecular Properties

• Compound Name: 2,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9,9-bis(trideuteriomethyl)indeno[2,1-b]pyridine;2',7'-dimethyl-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];6-(1,6-dimethylpyridin-1-ium-2-yl)-2,7,9,9-tetramethylindeno[2,1-b]pyridine;2,7,9,9-tetramethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine
• PubChem CID: 157269894
• Molecular Formula: C94H102N8+4
• Molecular Weight: 1353.97 g/mol
• Exact Mass: 1352.88
• IUPAC Name: 2,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9,9-bis(trideuteriomethyl)indeno[2,1-b]pyridine;2',7'-dimethyl-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];6-(1,6-dimethylpyridin-1-ium-2-yl)-2,7,9,9-tetramethylindeno[2,1-b]pyridine;2,7,9,9-tetramethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine
• SMILES: Cc1ccc2c(n1)C(C)(C)c1cc(C)c(-c3cccc(C)[n+]3C)cc1-2.Cc1ccc2c(n1)C(C)(C)c1cc(C)c(-c3cccc[n+]3C)cc1-2.[2H]C([2H])([2H])C([2H])(C)c1cc[n+](C)c(-c2c(C)ccc3c2C2(CCCC2)c2nc(C)ccc2-3)c1.[2H]C([2H])([2H])C1(C([2H])([2H])[2H])c2cc(C)c(-c3cccc[n+]3C)cc2-c2ccc(C)nc21
• InChI: InChI=1S/C27H31N2.C23H25N2.2C22H23N2/c1-17(2)20-12-15-29(5)23(16-20)24-18(3)8-10-21-22-11-9-19(4)28-26(22)27(25(21)24)13-6-7-14-27;1-14-12-20-19(13-18(14)21-9-7-8-16(3)25(21)6)17-11-10-15(2)24-22(17)23(20,4)5;2*1-14-12-19-18(13-17(14)20-8-6-7-11-24(20)5)16-10-9-15(2)23-21(16)22(19,3)4/h8-12,15-17H,6-7,13-14H2,1-5H3;7-13H,1-6H3;2*6-13H,1-5H3/q4*+1/i1D3,17D;;3D3,4D3
• InChIKey: KYQOHAOSUUJMBA-YUARFLFQSA-N
• XLogP: 19.95
• TPSA: 67.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1353.97
LogP ≤ 5	19.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 2,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9,9-bis(trideuteriomethyl)indeno[2,1-b]pyridine;2',7'-dimethyl-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];6-(1,6-dimethylpyridin-1-ium-2-yl)-2,7,9,9-tetramethylindeno[2,1-b]pyridine;2,7,9,9-tetramethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine?

The IUPAC name of 2,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9,9-bis(trideuteriomethyl)indeno[2,1-b]pyridine;2',7'-dimethyl-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];6-(1,6-dimethylpyridin-1-ium-2-yl)-2,7,9,9-tetramethylindeno[2,1-b]pyridine;2,7,9,9-tetramethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine (CID 157269894) is 2,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9,9-bis(trideuteriomethyl)indeno[2,1-b]pyridine;2',7'-dimethyl-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];6-(1,6-dimethylpyridin-1-ium-2-yl)-2,7,9,9-tetramethylindeno[2,1-b]pyridine;2,7,9,9-tetramethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine.

What is the SMILES notation for 2,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9,9-bis(trideuteriomethyl)indeno[2,1-b]pyridine;2',7'-dimethyl-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];6-(1,6-dimethylpyridin-1-ium-2-yl)-2,7,9,9-tetramethylindeno[2,1-b]pyridine;2,7,9,9-tetramethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine?

The canonical SMILES for 2,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9,9-bis(trideuteriomethyl)indeno[2,1-b]pyridine;2',7'-dimethyl-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];6-(1,6-dimethylpyridin-1-ium-2-yl)-2,7,9,9-tetramethylindeno[2,1-b]pyridine;2,7,9,9-tetramethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine is Cc1ccc2c(n1)C(C)(C)c1cc(C)c(-c3cccc(C)[n+]3C)cc1-2.Cc1ccc2c(n1)C(C)(C)c1cc(C)c(-c3cccc[n+]3C)cc1-2.[2H]C([2H])([2H])C([2H])(C)c1cc[n+](C)c(-c2c(C)ccc3c2C2(CCCC2)c2nc(C)ccc2-3)c1.[2H]C([2H])([2H])C1(C([2H])([2H])[2H])c2cc(C)c(-c3cccc[n+]3C)cc2-c2ccc(C)nc21.

What is the InChIKey of 2,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9,9-bis(trideuteriomethyl)indeno[2,1-b]pyridine;2',7'-dimethyl-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];6-(1,6-dimethylpyridin-1-ium-2-yl)-2,7,9,9-tetramethylindeno[2,1-b]pyridine;2,7,9,9-tetramethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine?

The InChIKey is KYQOHAOSUUJMBA-YUARFLFQSA-N. The full InChI is InChI=1S/C27H31N2.C23H25N2.2C22H23N2/c1-17(2)20-12-15-29(5)23(16-20)24-18(3)8-10-21-22-11-9-19(4)28-26(22)27(25(21)24)13-6-7-14-27;1-14-12-20-19(13-18(14)21-9-7-8-16(3)25(21)6)17-11-10-15(2)24-22(17)23(20,4)5;2*1-14-12-19-18(13-17(14)20-8-6-7-11-24(20)5)16-10-9-15(2)23-21(16)22(19,3)4/h8-12,15-17H,6-7,13-14H2,1-5H3;7-13H,1-6H3;2*6-13H,1-5H3/q4*+1/i1D3,17D;;3D3,4D3;.

What are the key properties of 2,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9,9-bis(trideuteriomethyl)indeno[2,1-b]pyridine;2',7'-dimethyl-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];6-(1,6-dimethylpyridin-1-ium-2-yl)-2,7,9,9-tetramethylindeno[2,1-b]pyridine;2,7,9,9-tetramethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine?

2,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9,9-bis(trideuteriomethyl)indeno[2,1-b]pyridine;2',7'-dimethyl-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];6-(1,6-dimethylpyridin-1-ium-2-yl)-2,7,9,9-tetramethylindeno[2,1-b]pyridine;2,7,9,9-tetramethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine has a molecular weight of 1353.97 g/mol, XLogP of 19.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9,9-bis(trideuteriomethyl)indeno[2,1-b]pyridine;2',7'-dimethyl-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];6-(1,6-dimethylpyridin-1-ium-2-yl)-2,7,9,9-tetramethylindeno[2,1-b]pyridine;2,7,9,9-tetramethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine is sourced from PubChem (CID 157269894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).