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

C112H119N10+5 — CID 162120149

IUPAC8-(1,4-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine;8-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7,9,9-trimethylindeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-6-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine
SMILESCc1cc(-c2c(C)ccc3c2C(C)(C)c2ncccc2-3)[n+](C)cc1C.Cc1cc[n+](C)c(-c2c(C)ccc3c2C(C)(C)c2ncccc2-3)c1.[2H]C([2H])([2H])c1c[n+](C)c(-c2c(C)ccc3c2C(C)(C)c2ncccc2-3)cc1C.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2C(C)(C)c2ncccc2-3)[n+](C)c1.[2H]C([2H])([2H])c1cccc(-c2c(C)ccc3c2C(C)(C)c2ncccc2-3)[n+]1C
InChIInChI=1S/2C23H25N2.3C22H23N2/c2*1-14-9-10-17-18-8-7-11-24-22(18)23(4,5)21(17)20(14)19-12-15(2)16(3)13-25(19)6;1-14-11-12-16-17-9-7-13-23-21(17)22(3,4)20(16)19(14)18-10-6-8-15(2)24(18)5;1-14-8-11-18(24(5)13-14)19-15(2)9-10-16-17-7-6-12-23-21(17)22(3,4)20(16)19;1-14-10-12-24(5)18(13-14)19-15(2)8-9-16-17-7-6-11-23-21(17)22(3,4)20(16)19/h2*7-13H,1-6H3;3*6-13H,1-5H3/q5*+1/i3D3;;2D3;1D3;
InChIKeyNQXUXJBDWREHER-BMFMYRQUSA-N
MW1614.31 g/mol
LogP23.10
Rot. Bonds8

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

8-(1,4-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine;8-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7,9,9-trimethylindeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-6-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine (PubChem CID 162120149) has the molecular formula C112H119N10+5 and a molecular weight of 1614.31 g/mol. Its IUPAC name is 8-(1,4-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine;8-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7,9,9-trimethylindeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-6-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine.

Molecular Properties

Compound Name8-(1,4-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine;8-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7,9,9-trimethylindeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-6-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine
PubChem CID162120149
Molecular FormulaC112H119N10+5
Molecular Weight1614.31 g/mol
Exact Mass1613.02
IUPAC Name8-(1,4-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine;8-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7,9,9-trimethylindeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-6-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine
SMILESCc1cc(-c2c(C)ccc3c2C(C)(C)c2ncccc2-3)[n+](C)cc1C.Cc1cc[n+](C)c(-c2c(C)ccc3c2C(C)(C)c2ncccc2-3)c1.[2H]C([2H])([2H])c1c[n+](C)c(-c2c(C)ccc3c2C(C)(C)c2ncccc2-3)cc1C.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2C(C)(C)c2ncccc2-3)[n+](C)c1.[2H]C([2H])([2H])c1cccc(-c2c(C)ccc3c2C(C)(C)c2ncccc2-3)[n+]1C
InChIInChI=1S/2C23H25N2.3C22H23N2/c2*1-14-9-10-17-18-8-7-11-24-22(18)23(4,5)21(17)20(14)19-12-15(2)16(3)13-25(19)6;1-14-11-12-16-17-9-7-13-23-21(17)22(3,4)20(16)19(14)18-10-6-8-15(2)24(18)5;1-14-8-11-18(24(5)13-14)19-15(2)9-10-16-17-7-6-12-23-21(17)22(3,4)20(16)19;1-14-10-12-24(5)18(13-14)19-15(2)8-9-16-17-7-6-11-23-21(17)22(3,4)20(16)19/h2*7-13H,1-6H3;3*6-13H,1-5H3/q5*+1/i3D3;;2D3;1D3;
InChIKeyNQXUXJBDWREHER-BMFMYRQUSA-N
XLogP23.10
TPSA83.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001614.31
LogP ≤ 523.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-(1,4-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine;8-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7,9,9-trimethylindeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-6-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine with MolForge

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Related Compounds

8-(1,6-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine
CID 123506806
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
5-(1,4-dimethylpyridin-1-ium-2-yl)-6,20,20-trimethyl-3-oxa-18-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene
CID 155648898
5,5,7-trimethyl-6-[1-methyl-6-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[1,2-b]pyridine
CID 123768429
1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium
CID 160656819
1,5-dimethyl-2-(2,5,5,10,10-pentamethylbenzo[b][1]benzosilin-1-yl)pyridin-1-ium;1,4-dimethyl-2-(2,5,5,10,10-pentamethylbenzo[b][1]benzosilin-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2,5,5,10,10-pentamethylbenzo[b][1]benzosilin-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;1,4,5-trimethyl-2-(2,5,5,10,10-pentamethylbenzo[b][1]benzosilin-1-yl)pyridin-1-ium
CID 161479909
1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 158401069
1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium;1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;methane;1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium
CID 161485827
17-methyl-18-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-10,10-bis(trideuteriomethyl)-20-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
CID 156661836
7-(1,4-dimethylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;2,6,9,9-tetramethyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine
CID 159398197
4-(1-deuteriocyclohexyl)-2-(2,7-dimethyl-9H-fluoren-1-yl)-1-methylpyridin-1-ium;2-(2,7-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,7-dimethyl-9H-fluoren-1-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium
CID 158245259
2-(2,5-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,3-dimethylphenyl)-1,3,6-trimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,4,5-trimethylpyridin-1-ium
CID 158903350

Frequently Asked Questions

What is the IUPAC name of 8-(1,4-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine;8-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7,9,9-trimethylindeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-6-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine?
The IUPAC name of 8-(1,4-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine;8-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7,9,9-trimethylindeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-6-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine (CID 162120149) is 8-(1,4-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine;8-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7,9,9-trimethylindeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-6-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine.
What is the SMILES notation for 8-(1,4-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine;8-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7,9,9-trimethylindeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-6-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine?
The canonical SMILES for 8-(1,4-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine;8-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7,9,9-trimethylindeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-6-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine is Cc1cc(-c2c(C)ccc3c2C(C)(C)c2ncccc2-3)[n+](C)cc1C.Cc1cc[n+](C)c(-c2c(C)ccc3c2C(C)(C)c2ncccc2-3)c1.[2H]C([2H])([2H])c1c[n+](C)c(-c2c(C)ccc3c2C(C)(C)c2ncccc2-3)cc1C.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2C(C)(C)c2ncccc2-3)[n+](C)c1.[2H]C([2H])([2H])c1cccc(-c2c(C)ccc3c2C(C)(C)c2ncccc2-3)[n+]1C.
What is the InChIKey of 8-(1,4-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine;8-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7,9,9-trimethylindeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-6-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine?
The InChIKey is NQXUXJBDWREHER-BMFMYRQUSA-N. The full InChI is InChI=1S/2C23H25N2.3C22H23N2/c2*1-14-9-10-17-18-8-7-11-24-22(18)23(4,5)21(17)20(14)19-12-15(2)16(3)13-25(19)6;1-14-11-12-16-17-9-7-13-23-21(17)22(3,4)20(16)19(14)18-10-6-8-15(2)24(18)5;1-14-8-11-18(24(5)13-14)19-15(2)9-10-16-17-7-6-12-23-21(17)22(3,4)20(16)19;1-14-10-12-24(5)18(13-14)19-15(2)8-9-16-17-7-6-11-23-21(17)22(3,4)20(16)19/h2*7-13H,1-6H3;3*6-13H,1-5H3/q5*+1/i3D3;;2D3;1D3;.
What are the key properties of 8-(1,4-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine;8-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7,9,9-trimethylindeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-6-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine?
8-(1,4-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine;8-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7,9,9-trimethylindeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-6-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine has a molecular weight of 1614.31 g/mol, XLogP of 23.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,4-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine;8-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-7,9,9-trimethylindeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-6-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine is sourced from PubChem (CID 162120149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).