1-fluoro-7,9-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-2-phenylcarbazole

C26H22FN2+ — CID 167365786

IUPAC1-fluoro-7,9-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-2-phenylcarbazole
SMILESCc1ccc2c3ccc(-c4ccccc4)c(F)c3n(C)c2c1-c1cccc[n+]1C
InChIInChI=1S/C26H22FN2/c1-17-12-13-20-21-15-14-19(18-9-5-4-6-10-18)24(27)26(21)29(3)25(20)23(17)22-11-7-8-16-28(22)2/h4-16H,1-3H3/q+1
InChIKeyJRSLKJVHHHTKOA-UHFFFAOYSA-N
MW381.47 g/mol
LogP5.94
Rot. Bonds2

About 1-fluoro-7,9-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-2-phenylcarbazole

1-fluoro-7,9-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-2-phenylcarbazole (PubChem CID 167365786) has the molecular formula C26H22FN2+ and a molecular weight of 381.47 g/mol. Its IUPAC name is 1-fluoro-7,9-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-2-phenylcarbazole.

Molecular Properties

Compound Name1-fluoro-7,9-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-2-phenylcarbazole
PubChem CID167365786
Molecular FormulaC26H22FN2+
Molecular Weight381.47 g/mol
Exact Mass381.18
IUPAC Name1-fluoro-7,9-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-2-phenylcarbazole
SMILESCc1ccc2c3ccc(-c4ccccc4)c(F)c3n(C)c2c1-c1cccc[n+]1C
InChIInChI=1S/C26H22FN2/c1-17-12-13-20-21-15-14-19(18-9-5-4-6-10-18)24(27)26(21)29(3)25(20)23(17)22-11-7-8-16-28(22)2/h4-16H,1-3H3/q+1
InChIKeyJRSLKJVHHHTKOA-UHFFFAOYSA-N
XLogP5.94
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.47
LogP ≤ 55.94
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

7-fluoro-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9-phenyl-8-(4-phenylphenyl)carbazole
CID 164849502
7-isocyano-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9-phenyl-8-(4-phenylphenyl)carbazole
CID 165386102
7-methyl-6-(1-methylpyridin-1-ium-2-yl)-3-phenyldibenzofuran-4-carbonitrile
CID 167357518
2-(7-fluoro-2-methyl-8-phenyldibenzofuran-1-yl)-1-methylpyridin-1-ium
CID 161416380
2-(3,8-dimethyl-6-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 167357356
2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium
CID 140800379
2-[7-fluoro-3-methyl-6-[3-methyl-4-(4-methylphenyl)phenyl]dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 167357440
2-(6-isocyano-3-methyl-9-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 154615787
2-[7-fluoro-3-methyl-8-(2-methyl-4-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849679
2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 176787862
1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium
CID 176645803
2-[7-fluoro-3-methyl-6-[3-(2-phenylpropan-2-yl)phenyl]dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166038397

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-7,9-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-2-phenylcarbazole?
The IUPAC name of 1-fluoro-7,9-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-2-phenylcarbazole (CID 167365786) is 1-fluoro-7,9-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-2-phenylcarbazole.
What is the SMILES notation for 1-fluoro-7,9-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-2-phenylcarbazole?
The canonical SMILES for 1-fluoro-7,9-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-2-phenylcarbazole is Cc1ccc2c3ccc(-c4ccccc4)c(F)c3n(C)c2c1-c1cccc[n+]1C.
What is the InChIKey of 1-fluoro-7,9-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-2-phenylcarbazole?
The InChIKey is JRSLKJVHHHTKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN2/c1-17-12-13-20-21-15-14-19(18-9-5-4-6-10-18)24(27)26(21)29(3)25(20)23(17)22-11-7-8-16-28(22)2/h4-16H,1-3H3/q+1.
What are the key properties of 1-fluoro-7,9-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-2-phenylcarbazole?
1-fluoro-7,9-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-2-phenylcarbazole has a molecular weight of 381.47 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-7,9-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-2-phenylcarbazole is sourced from PubChem (CID 167365786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).