1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium

C24H26N+ — CID 159213376

IUPAC1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium
SMILESCc1ccc2c(c1)-c1c(ccc(C)c1-c1ccc(C)c[n+]1C)C2(C)C
InChIInChI=1S/C24H26N/c1-15-7-10-19-18(13-15)23-20(24(19,4)5)11-9-17(3)22(23)21-12-8-16(2)14-25(21)6/h7-14H,1-6H3/q+1
InChIKeyFZQRSAJAQYNMHM-UHFFFAOYSA-N
MW328.48 g/mol
LogP5.41
Rot. Bonds1

About 1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium

1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium (PubChem CID 159213376) has the molecular formula C24H26N+ and a molecular weight of 328.48 g/mol. Its IUPAC name is 1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium.

Molecular Properties

Compound Name1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium
PubChem CID159213376
Molecular FormulaC24H26N+
Molecular Weight328.48 g/mol
Exact Mass328.21
IUPAC Name1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium
SMILESCc1ccc2c(c1)-c1c(ccc(C)c1-c1ccc(C)c[n+]1C)C2(C)C
InChIInChI=1S/C24H26N/c1-15-7-10-19-18(13-15)23-20(24(19,4)5)11-9-17(3)22(23)21-12-8-16(2)14-25(21)6/h7-14H,1-6H3/q+1
InChIKeyFZQRSAJAQYNMHM-UHFFFAOYSA-N
XLogP5.41
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.48
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,7,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,8,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;2-[3,9-dimethyl-9-(trideuteriomethyl)fluoren-4-yl]-1-methylpyridin-1-ium
CID 160561068
2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium
CID 158548447
2-(2,5-dimethylphenyl)-1,5-dimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,5-dimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium
CID 162184943
8-(1,5-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylfluorene-1-carbonitrile
CID 170252084
2-[3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4,6-trimethylphenyl]-1,5-dimethylpyridin-1-ium
CID 140944282
2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium
CID 162063362
2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)-1,5-dimethylpyridin-1-ium
CID 177075003
2-[3-(2,4-dimethylphenyl)-2,4,6-trimethylphenyl]-1,5-dimethylpyridin-1-ium
CID 140944352
1,4-dimethyl-2-(2,5,5,6,6-pentamethylbenzo[a]anthracen-1-yl)pyridin-1-ium
CID 140940594
3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4-dimethylpyridine
CID 123408164
2,6,9,9-tetramethylfluorene
CID 23527438
1,5-dimethyl-2-(9,11,11-trimethyl-[1]benzofuro[2,3-b]chromen-10-yl)pyridin-1-ium
CID 167317311

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium?
The IUPAC name of 1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium (CID 159213376) is 1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium.
What is the SMILES notation for 1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium?
The canonical SMILES for 1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium is Cc1ccc2c(c1)-c1c(ccc(C)c1-c1ccc(C)c[n+]1C)C2(C)C.
What is the InChIKey of 1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium?
The InChIKey is FZQRSAJAQYNMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N/c1-15-7-10-19-18(13-15)23-20(24(19,4)5)11-9-17(3)22(23)21-12-8-16(2)14-25(21)6/h7-14H,1-6H3/q+1.
What are the key properties of 1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium?
1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium has a molecular weight of 328.48 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium is sourced from PubChem (CID 159213376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).