7,9,9-trimethyl-6-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine

C25H23N2+ — CID 123908447

IUPAC7,9,9-trimethyl-6-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine
SMILESCc1cc2c(cc1-c1cc3ccccc3c[n+]1C)-c1cccnc1C2(C)C
InChIInChI=1S/C25H23N2/c1-16-12-22-21(19-10-7-11-26-24(19)25(22,2)3)14-20(16)23-13-17-8-5-6-9-18(17)15-27(23)4/h5-15H,1-4H3/q+1
InChIKeyPRJLEDOAXXAAPS-UHFFFAOYSA-N
MW351.47 g/mol
LogP5.34
Rot. Bonds1

About 7,9,9-trimethyl-6-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine

7,9,9-trimethyl-6-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine (PubChem CID 123908447) has the molecular formula C25H23N2+ and a molecular weight of 351.47 g/mol. Its IUPAC name is 7,9,9-trimethyl-6-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine.

Molecular Properties

Compound Name7,9,9-trimethyl-6-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine
PubChem CID123908447
Molecular FormulaC25H23N2+
Molecular Weight351.47 g/mol
Exact Mass351.19
IUPAC Name7,9,9-trimethyl-6-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine
SMILESCc1cc2c(cc1-c1cc3ccccc3c[n+]1C)-c1cccnc1C2(C)C
InChIInChI=1S/C25H23N2/c1-16-12-22-21(19-10-7-11-26-24(19)25(22,2)3)14-20(16)23-13-17-8-5-6-9-18(17)15-27(23)4/h5-15H,1-4H3/q+1
InChIKeyPRJLEDOAXXAAPS-UHFFFAOYSA-N
XLogP5.34
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(7-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)-6,9,9-trimethylindeno[2,1-b]pyridine);7-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-6,9,9-trimethylindeno[2,1-b]pyridine
CID 161473059
6,9,9-trimethyl-7-(1-methyl-4-phenylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine
CID 123974554
7-[5-(4-fluorophenyl)-1-methylpyridin-1-ium-2-yl]-6,9,9-trimethylindeno[2,1-b]pyridine;6,9,9-trimethyl-7-[1-methyl-5-(4-methylphenyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;6,9,9-trimethyl-7-[1-methyl-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium-2-yl]indeno[2,1-b]pyridine
CID 161198205
6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-7,9,9-trimethylindeno[2,1-b]pyridine
CID 123277893
2,6,9,9-tetramethyl-7-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine
CID 123306347
1,4-dimethyl-2-(2,5,5,6,6-pentamethylbenzo[a]anthracen-3-yl)-5-[2-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 161114875
2,6,9,9-tetramethyl-7-[1-methyl-5-(4-methylphenyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;bis(2,6,9,9-tetramethyl-7-(1-methyl-5-phenylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine)
CID 157475041
1,4,5-trimethyl-2-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)pyridin-1-ium
CID 140940563
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
6-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine
CID 66594307
1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium
CID 162062988
8-(1,6-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine
CID 123506806

Frequently Asked Questions

What is the IUPAC name of 7,9,9-trimethyl-6-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine?
The IUPAC name of 7,9,9-trimethyl-6-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine (CID 123908447) is 7,9,9-trimethyl-6-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine.
What is the SMILES notation for 7,9,9-trimethyl-6-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine?
The canonical SMILES for 7,9,9-trimethyl-6-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine is Cc1cc2c(cc1-c1cc3ccccc3c[n+]1C)-c1cccnc1C2(C)C.
What is the InChIKey of 7,9,9-trimethyl-6-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine?
The InChIKey is PRJLEDOAXXAAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N2/c1-16-12-22-21(19-10-7-11-26-24(19)25(22,2)3)14-20(16)23-13-17-8-5-6-9-18(17)15-27(23)4/h5-15H,1-4H3/q+1.
What are the key properties of 7,9,9-trimethyl-6-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine?
7,9,9-trimethyl-6-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine has a molecular weight of 351.47 g/mol, XLogP of 5.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9,9-trimethyl-6-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine is sourced from PubChem (CID 123908447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).