8-(1,6-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine

C22H23N2+ — CID 123506806

IUPAC8-(1,6-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine
SMILESCc1ccc2c(c1-c1cccc(C)[n+]1C)C(C)(C)c1ncccc1-2
InChIInChI=1S/C22H23N2/c1-14-11-12-16-17-9-7-13-23-21(17)22(3,4)20(16)19(14)18-10-6-8-15(2)24(18)5/h6-13H,1-5H3/q+1
InChIKeyREHCGWBYIBUJRO-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.50
Rot. Bonds1

About 8-(1,6-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine

8-(1,6-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine (PubChem CID 123506806) has the molecular formula C22H23N2+ and a molecular weight of 315.44 g/mol. Its IUPAC name is 8-(1,6-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine.

Molecular Properties

Compound Name8-(1,6-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine
PubChem CID123506806
Molecular FormulaC22H23N2+
Molecular Weight315.44 g/mol
Exact Mass315.19
IUPAC Name8-(1,6-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine
SMILESCc1ccc2c(c1-c1cccc(C)[n+]1C)C(C)(C)c1ncccc1-2
InChIInChI=1S/C22H23N2/c1-14-11-12-16-17-9-7-13-23-21(17)22(3,4)20(16)19(14)18-10-6-8-15(2)24(18)5/h6-13H,1-5H3/q+1
InChIKeyREHCGWBYIBUJRO-UHFFFAOYSA-N
XLogP4.50
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,5,7-trimethyl-6-[1-methyl-6-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[1,2-b]pyridine
CID 123768429
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
7,9,9-trimethyl-8-[1-methyl-7-(2-methylpropyl)quinolin-1-ium-2-yl]indeno[2,1-b]pyridine
CID 123868813
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
5,7-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
6,20,20-trimethyl-5-(1-methylpyridin-1-ium-2-yl)-3-oxa-11,18-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14(19),15,17-nonaene
CID 155648919
1-methyl-2-(2,9,9-trimethylfluoren-1-yl)quinolin-1-ium
CID 164787286
5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
CID 161312540
2-(8-isocyano-2,9,9-trimethylfluoren-1-yl)-1-methylpyridin-1-ium
CID 154615538
7,9,9-trimethyl-6-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine
CID 123908447
tris(8-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)-2,7,9,9-tetramethylindeno[2,1-b]pyridine);8-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7,9,9-tetramethylindeno[2,1-b]pyridine
CID 159723170
1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium
CID 159863789

Frequently Asked Questions

What is the IUPAC name of 8-(1,6-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine?
The IUPAC name of 8-(1,6-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine (CID 123506806) is 8-(1,6-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine.
What is the SMILES notation for 8-(1,6-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine?
The canonical SMILES for 8-(1,6-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine is Cc1ccc2c(c1-c1cccc(C)[n+]1C)C(C)(C)c1ncccc1-2.
What is the InChIKey of 8-(1,6-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine?
The InChIKey is REHCGWBYIBUJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N2/c1-14-11-12-16-17-9-7-13-23-21(17)22(3,4)20(16)19(14)18-10-6-8-15(2)24(18)5/h6-13H,1-5H3/q+1.
What are the key properties of 8-(1,6-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine?
8-(1,6-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine has a molecular weight of 315.44 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,6-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine is sourced from PubChem (CID 123506806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).