8-(1,5-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylfluorene-1-carbonitrile

C24H23N2+ — CID 170252084

IUPAC8-(1,5-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylfluorene-1-carbonitrile
SMILESCc1ccc(-c2c(C)ccc3c2C(C)(C)c2c(C#N)cccc2-3)[n+](C)c1
InChIInChI=1S/C24H23N2/c1-15-9-12-20(26(5)14-15)21-16(2)10-11-19-18-8-6-7-17(13-25)22(18)24(3,4)23(19)21/h6-12,14H,1-5H3/q+1
InChIKeyNGLIQXQSEULOBU-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.97
Rot. Bonds1

About 8-(1,5-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylfluorene-1-carbonitrile

8-(1,5-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylfluorene-1-carbonitrile (PubChem CID 170252084) has the molecular formula C24H23N2+ and a molecular weight of 339.46 g/mol. Its IUPAC name is 8-(1,5-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylfluorene-1-carbonitrile.

Molecular Properties

Compound Name8-(1,5-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylfluorene-1-carbonitrile
PubChem CID170252084
Molecular FormulaC24H23N2+
Molecular Weight339.46 g/mol
Exact Mass339.19
IUPAC Name8-(1,5-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylfluorene-1-carbonitrile
SMILESCc1ccc(-c2c(C)ccc3c2C(C)(C)c2c(C#N)cccc2-3)[n+](C)c1
InChIInChI=1S/C24H23N2/c1-15-9-12-20(26(5)14-15)21-16(2)10-11-19-18-8-6-7-17(13-25)22(18)24(3,4)23(19)21/h6-12,14H,1-5H3/q+1
InChIKeyNGLIQXQSEULOBU-UHFFFAOYSA-N
XLogP4.97
TPSA27.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.97
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

4-(1,5-dimethylpyridin-1-ium-2-yl)-3,5,5-trimethylbenzo[b][1]benzosilole-9-carbonitrile
CID 154615473
7,9,9-trimethyl-8-(1-methylpyridin-1-ium-2-yl)-1-phenylfluorene-2-carbonitrile
CID 167365822
1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium
CID 159213376
8-(5-tert-butyl-4-fluoro-1-methylpyridin-1-ium-2-yl)-7,9,9-trimethyl-1-(4-phenylphenyl)fluorene-2-carbonitrile
CID 169283100
2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium
CID 158548447
2-(8-isocyano-2,9,9-trimethylfluoren-1-yl)-1-methylpyridin-1-ium
CID 154615538
6-(1,5-dimethylpyridin-1-ium-2-yl)-4-(2-isocyanophenyl)-7-methyldibenzofuran-3-carbonitrile
CID 166043386
5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
CID 161312540
4-(1,5-dimethylpyridin-1-ium-2-yl)-3-methylbenzonitrile
CID 177271047
6-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-4-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile
CID 164850012
1-methyl-2-(2,9,9-trimethylfluoren-1-yl)quinolin-1-ium
CID 164787286
6-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-4-(4-trimethylsilylphenyl)dibenzofuran-1-carbonitrile
CID 162505958

Frequently Asked Questions

What is the IUPAC name of 8-(1,5-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylfluorene-1-carbonitrile?
The IUPAC name of 8-(1,5-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylfluorene-1-carbonitrile (CID 170252084) is 8-(1,5-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylfluorene-1-carbonitrile.
What is the SMILES notation for 8-(1,5-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylfluorene-1-carbonitrile?
The canonical SMILES for 8-(1,5-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylfluorene-1-carbonitrile is Cc1ccc(-c2c(C)ccc3c2C(C)(C)c2c(C#N)cccc2-3)[n+](C)c1.
What is the InChIKey of 8-(1,5-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylfluorene-1-carbonitrile?
The InChIKey is NGLIQXQSEULOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N2/c1-15-9-12-20(26(5)14-15)21-16(2)10-11-19-18-8-6-7-17(13-25)22(18)24(3,4)23(19)21/h6-12,14H,1-5H3/q+1.
What are the key properties of 8-(1,5-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylfluorene-1-carbonitrile?
8-(1,5-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylfluorene-1-carbonitrile has a molecular weight of 339.46 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,5-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylfluorene-1-carbonitrile is sourced from PubChem (CID 170252084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).