6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole

C31H26N4+2 — CID 177263990

IUPAC6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole
SMILESCc1c2c(cc3c4ccccc4n(-c4cccc[n+]4C)c13)c1ccccc1n2-c1cccc[n+]1C
InChIInChI=1S/C31H26N4/c1-21-30-24(22-12-4-6-14-26(22)34(30)28-16-8-10-18-32(28)2)20-25-23-13-5-7-15-27(23)35(31(21)25)29-17-9-11-19-33(29)3/h4-20H,1-3H3/q+2
InChIKeyADCVSECWXCJHSK-UHFFFAOYSA-N
MW454.58 g/mol
LogP5.84
Rot. Bonds2

About 6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole

6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole (PubChem CID 177263990) has the molecular formula C31H26N4+2 and a molecular weight of 454.58 g/mol. Its IUPAC name is 6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole.

Molecular Properties

Compound Name6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole
PubChem CID177263990
Molecular FormulaC31H26N4+2
Molecular Weight454.58 g/mol
Exact Mass454.21
IUPAC Name6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole
SMILESCc1c2c(cc3c4ccccc4n(-c4cccc[n+]4C)c13)c1ccccc1n2-c1cccc[n+]1C
InChIInChI=1S/C31H26N4/c1-21-30-24(22-12-4-6-14-26(22)34(30)28-16-8-10-18-32(28)2)20-25-23-13-5-7-15-27(23)35(31(21)25)29-17-9-11-19-33(29)3/h4-20H,1-3H3/q+2
InChIKeyADCVSECWXCJHSK-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

1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol
CID 158408043
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
2-tert-butyl-9-(4-carbazol-9-yl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole
CID 155769608
9-(6-deuterio-1,4-dimethylpyridin-1-ium-2-yl)-1,2,3-trimethylcarbazole
CID 161135803
1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole
CID 140705700
9-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol
CID 160527495
3-ethenyl-1-(1-methylpyridin-1-ium-2-yl)-2-prop-1-en-2-ylindole
CID 162103851
9-methyl-10-(1-methylpyridin-1-ium-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
CID 177095609
2-tert-butyl-9-(4-carbazol-9-yl-1-methylpyridin-1-ium-2-yl)-1-methyl-6-phenylcarbazole
CID 155769690
9-(6-deuterio-1-methylpyridin-1-ium-2-yl)-1,2,6-trimethylcarbazole
CID 158582788
1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium
CID 123854128

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole?
The IUPAC name of 6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole (CID 177263990) is 6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole.
What is the SMILES notation for 6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole?
The canonical SMILES for 6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole is Cc1c2c(cc3c4ccccc4n(-c4cccc[n+]4C)c13)c1ccccc1n2-c1cccc[n+]1C.
What is the InChIKey of 6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole?
The InChIKey is ADCVSECWXCJHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4/c1-21-30-24(22-12-4-6-14-26(22)34(30)28-16-8-10-18-32(28)2)20-25-23-13-5-7-15-27(23)35(31(21)25)29-17-9-11-19-33(29)3/h4-20H,1-3H3/q+2.
What are the key properties of 6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole?
6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole 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 6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole is sourced from PubChem (CID 177263990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).