7-fluoro-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9-phenyl-8-(4-phenylphenyl)carbazole

C37H28FN2+ — CID 164849502

IUPAC7-fluoro-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9-phenyl-8-(4-phenylphenyl)carbazole
SMILESCc1ccc2c3ccc(F)c(-c4ccc(-c5ccccc5)cc4)c3n(-c3ccccc3)c2c1-c1cccc[n+]1C
InChIInChI=1S/C37H28FN2/c1-25-16-21-30-31-22-23-32(38)35(28-19-17-27(18-20-28)26-11-5-3-6-12-26)37(31)40(29-13-7-4-8-14-29)36(30)34(25)33-15-9-10-24-39(33)2/h3-24H,1-2H3/q+1
InChIKeyWRPGCIHDMUYBLT-UHFFFAOYSA-N
MW519.64 g/mol
LogP9.06
Rot. Bonds4

About 7-fluoro-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9-phenyl-8-(4-phenylphenyl)carbazole

7-fluoro-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9-phenyl-8-(4-phenylphenyl)carbazole (PubChem CID 164849502) has the molecular formula C37H28FN2+ and a molecular weight of 519.64 g/mol. Its IUPAC name is 7-fluoro-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9-phenyl-8-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name7-fluoro-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9-phenyl-8-(4-phenylphenyl)carbazole
PubChem CID164849502
Molecular FormulaC37H28FN2+
Molecular Weight519.64 g/mol
Exact Mass519.22
IUPAC Name7-fluoro-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9-phenyl-8-(4-phenylphenyl)carbazole
SMILESCc1ccc2c3ccc(F)c(-c4ccc(-c5ccccc5)cc4)c3n(-c3ccccc3)c2c1-c1cccc[n+]1C
InChIInChI=1S/C37H28FN2/c1-25-16-21-30-31-22-23-32(38)35(28-19-17-27(18-20-28)26-11-5-3-6-12-26)37(31)40(29-13-7-4-8-14-29)36(30)34(25)33-15-9-10-24-39(33)2/h3-24H,1-2H3/q+1
InChIKeyWRPGCIHDMUYBLT-UHFFFAOYSA-N
XLogP9.06
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.64
LogP ≤ 59.06
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-isocyano-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9-phenyl-8-(4-phenylphenyl)carbazole
CID 165386102
1-fluoro-7,9-dimethyl-8-(1-methylpyridin-1-ium-2-yl)-2-phenylcarbazole
CID 167365786
2-[7-fluoro-3-methyl-6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849988
[4-[3-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]phenyl]-methyl-phenylborane
CID 166038418
2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium
CID 140800379
trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-yl]germane
CID 167357536
2-[6-[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849822
2-[7-fluoro-3-methyl-6-[3-(2-phenylpropan-2-yl)phenyl]dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166038397
2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 153003317
2-[6-[4-(1-deuteriocyclohexyl)phenyl]-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166037825
2-[7-fluoro-3-methyl-8-(2-methyl-4-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849679
2-[7-fluoro-3-methyl-6-(3-phenoxyphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166037673

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9-phenyl-8-(4-phenylphenyl)carbazole?
The IUPAC name of 7-fluoro-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9-phenyl-8-(4-phenylphenyl)carbazole (CID 164849502) is 7-fluoro-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9-phenyl-8-(4-phenylphenyl)carbazole.
What is the SMILES notation for 7-fluoro-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9-phenyl-8-(4-phenylphenyl)carbazole?
The canonical SMILES for 7-fluoro-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9-phenyl-8-(4-phenylphenyl)carbazole is Cc1ccc2c3ccc(F)c(-c4ccc(-c5ccccc5)cc4)c3n(-c3ccccc3)c2c1-c1cccc[n+]1C.
What is the InChIKey of 7-fluoro-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9-phenyl-8-(4-phenylphenyl)carbazole?
The InChIKey is WRPGCIHDMUYBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28FN2/c1-25-16-21-30-31-22-23-32(38)35(28-19-17-27(18-20-28)26-11-5-3-6-12-26)37(31)40(29-13-7-4-8-14-29)36(30)34(25)33-15-9-10-24-39(33)2/h3-24H,1-2H3/q+1.
What are the key properties of 7-fluoro-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9-phenyl-8-(4-phenylphenyl)carbazole?
7-fluoro-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9-phenyl-8-(4-phenylphenyl)carbazole has a molecular weight of 519.64 g/mol, XLogP of 9.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-9-phenyl-8-(4-phenylphenyl)carbazole is sourced from PubChem (CID 164849502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).