1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium

C31H26N4+2 — CID 177263811

IUPAC1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium
SMILESCc1cccc2c3ccccc3n(-c3ccc4c5ccccc5n(-c5cccc[n+]5C)c4[n+]3C)c12
InChIInChI=1S/C31H26N4/c1-21-11-10-14-24-22-12-4-6-15-26(22)34(30(21)24)29-19-18-25-23-13-5-7-16-27(23)35(31(25)33(29)3)28-17-8-9-20-32(28)2/h4-20H,1-3H3/q+2
InChIKeyRHAPHLQNODQOBQ-UHFFFAOYSA-N
MW454.58 g/mol
LogP5.84
Rot. Bonds2

About 1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium

1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium (PubChem CID 177263811) has the molecular formula C31H26N4+2 and a molecular weight of 454.58 g/mol. Its IUPAC name is 1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium.

Molecular Properties

Compound Name1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium
PubChem CID177263811
Molecular FormulaC31H26N4+2
Molecular Weight454.58 g/mol
Exact Mass454.21
IUPAC Name1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium
SMILESCc1cccc2c3ccccc3n(-c3ccc4c5ccccc5n(-c5cccc[n+]5C)c4[n+]3C)c12
InChIInChI=1S/C31H26N4/c1-21-11-10-14-24-22-12-4-6-15-26(22)34(30(21)24)29-19-18-25-23-13-5-7-16-27(23)35(31(25)33(29)3)28-17-8-9-20-32(28)2/h4-20H,1-3H3/q+2
InChIKeyRHAPHLQNODQOBQ-UHFFFAOYSA-N
XLogP5.84
TPSA17.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.58
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole
CID 160817149
6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole
CID 177263990
1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole
CID 140705700
1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole
CID 155616142
1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol
CID 158408043
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
1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium
CID 123854128
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
9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole
CID 23399530
9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole
CID 161092536
9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-(2-methylphenyl)pyrazole
CID 159898776
10-methyl-12-(1-methylpyridin-1-ium-2-yl)-1,12-diazanonacyclo[25.10.1.02,14.05,13.06,11.015,20.021,26.031,38.032,37]octatriaconta-3,5(13),6,8,10,15,17,19,21,23,25,27,29,31(38),32,34,36-heptadecaene
CID 168811504

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium?
The IUPAC name of 1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium (CID 177263811) is 1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium.
What is the SMILES notation for 1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium?
The canonical SMILES for 1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium is Cc1cccc2c3ccccc3n(-c3ccc4c5ccccc5n(-c5cccc[n+]5C)c4[n+]3C)c12.
What is the InChIKey of 1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium?
The InChIKey is RHAPHLQNODQOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4/c1-21-11-10-14-24-22-12-4-6-15-26(22)34(30(21)24)29-19-18-25-23-13-5-7-16-27(23)35(31(25)33(29)3)28-17-8-9-20-32(28)2/h4-20H,1-3H3/q+2.
What are the key properties of 1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium?
1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium has a molecular weight of 454.58 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium is sourced from PubChem (CID 177263811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).