2-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium bromide

C24H21BrN2 — CID 71683150

IUPAC2-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium bromide
SMILESCc1c2cc[n+](Cc3ccccc3)cc2c(C)c2c1[nH]c1ccccc12.[Br-]
InChIInChI=1S/C24H20N2.BrH/c1-16-21-15-26(14-18-8-4-3-5-9-18)13-12-19(21)17(2)24-23(16)20-10-6-7-11-22(20)25-24;/h3-13,15H,14H2,1-2H3;1H
InChIKeyQBGDOMMDIJKEBM-UHFFFAOYSA-N
MW417.35 g/mol
LogP2.43
Rot. Bonds2

About 2-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium bromide

2-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium bromide (PubChem CID 71683150) has the molecular formula C24H21BrN2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 2-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium bromide.

Molecular Properties

Compound Name2-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium bromide
PubChem CID71683150
Molecular FormulaC24H21BrN2
Molecular Weight417.35 g/mol
Exact Mass416.09
IUPAC Name2-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium bromide
SMILESCc1c2cc[n+](Cc3ccccc3)cc2c(C)c2c1[nH]c1ccccc12.[Br-]
InChIInChI=1S/C24H20N2.BrH/c1-16-21-15-26(14-18-8-4-3-5-9-18)13-12-19(21)17(2)24-23(16)20-10-6-7-11-22(20)25-24;/h3-13,15H,14H2,1-2H3;1H
InChIKeyQBGDOMMDIJKEBM-UHFFFAOYSA-N
XLogP2.43
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,11-dimethyl-2-propyl-6H-pyrido[4,3-b]carbazol-2-ium;hydrobromide
CID 158096242
2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;hydroiodide
CID 161443483
2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine
CID 90682276
4-(5,11-dimethyl-10H-pyrido[3,4-b]carbazol-2-ium-2-yl)butanenitrile chloride
CID 70676740
2-(5-azidopentyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium
CID 121242027
2-benzyl-9H-pyrido[3,4-b]indol-2-ium
CID 46907599
(3S,4R,5S)-2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol bromide
CID 46874352
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 121241710
azane;5,11-dimethyl-6H-pyrido[4,3-b]carbazole
CID 118981774
2-benzylisoquinolin-2-ium bromide
CID 10968580
methyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate
CID 134139601
1-benzyl-4-bromo-3-methylpyridin-1-ium
CID 156864284

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium bromide?
The IUPAC name of 2-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium bromide (CID 71683150) is 2-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium bromide.
What is the SMILES notation for 2-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium bromide?
The canonical SMILES for 2-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium bromide is Cc1c2cc[n+](Cc3ccccc3)cc2c(C)c2c1[nH]c1ccccc12.[Br-].
What is the InChIKey of 2-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium bromide?
The InChIKey is QBGDOMMDIJKEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2.BrH/c1-16-21-15-26(14-18-8-4-3-5-9-18)13-12-19(21)17(2)24-23(16)20-10-6-7-11-22(20)25-24;/h3-13,15H,14H2,1-2H3;1H.
What are the key properties of 2-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium bromide?
2-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium bromide has a molecular weight of 417.35 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium bromide is sourced from PubChem (CID 71683150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).