1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole

C22H23N2+ — CID 140705700

IUPAC1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole
SMILESCc1cccc2c3ccccc3n(-c3cc(C(C)C)cc[n+]3C)c12
InChIInChI=1S/C22H23N2/c1-15(2)17-12-13-23(4)21(14-17)24-20-11-6-5-9-18(20)19-10-7-8-16(3)22(19)24/h5-15H,1-4H3/q+1
InChIKeyXFPYYLLWXQHHRK-UHFFFAOYSA-N
MW315.44 g/mol
LogP5.04
Rot. Bonds2

About 1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole

1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole (PubChem CID 140705700) has the molecular formula C22H23N2+ and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole.

Molecular Properties

Compound Name1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole
PubChem CID140705700
Molecular FormulaC22H23N2+
Molecular Weight315.44 g/mol
Exact Mass315.19
IUPAC Name1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole
SMILESCc1cccc2c3ccccc3n(-c3cc(C(C)C)cc[n+]3C)c12
InChIInChI=1S/C22H23N2/c1-15(2)17-12-13-23(4)21(14-17)24-20-11-6-5-9-18(20)19-10-7-8-16(3)22(19)24/h5-15H,1-4H3/q+1
InChIKeyXFPYYLLWXQHHRK-UHFFFAOYSA-N
XLogP5.04
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.44
LogP ≤ 55.04
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

6-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole
CID 159902760
9-[4-(2,6-dimethylphenyl)-1,5-dimethylpyridin-1-ium-2-yl]-1-methylcarbazole;9-[5-(2,6-dimethylphenyl)-1,4-dimethylpyridin-1-ium-2-yl]-1-methylcarbazole;9-[4-[2,6-di(propan-2-yl)phenyl]-1,5-dimethylpyridin-1-ium-2-yl]-1-methylcarbazole
CID 158431142
4-methyl-5-(1-methylcarbazol-9-yl)-4-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 176845178
1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole
CID 155616142
1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium
CID 177263811
9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole
CID 160817149
11-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-9-methyl-11-azaheptacyclo[13.6.6.02,14.04,12.05,10.016,21.022,27]heptacosa-2(14),3,5,7,9,12,16,18,20,22,24,26-dodecaene
CID 176845147
6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole
CID 177263990
9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole
CID 23399530
2-tert-butyl-9-(4-carbazol-9-yl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole
CID 155769608
5,10-di(propan-2-yl)-24-oxa-13,35-diaza-2,40-diazoniadodecacyclo[18.17.2.11,8.02,7.03,35.013,39.014,19.023,38.025,37.028,36.029,34.012,40]tetraconta-2(7),3,5,8(40),9,11,14,16,18,20(39),21,23(38),25(37),26,28(36),29,31,33-octadecaene
CID 157126694
1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol
CID 158408043

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole?
The IUPAC name of 1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole (CID 140705700) is 1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole.
What is the SMILES notation for 1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole?
The canonical SMILES for 1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole is Cc1cccc2c3ccccc3n(-c3cc(C(C)C)cc[n+]3C)c12.
What is the InChIKey of 1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole?
The InChIKey is XFPYYLLWXQHHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N2/c1-15(2)17-12-13-23(4)21(14-17)24-20-11-6-5-9-18(20)19-10-7-8-16(3)22(19)24/h5-15H,1-4H3/q+1.
What are the key properties of 1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole?
1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole has a molecular weight of 315.44 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole is sourced from PubChem (CID 140705700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).