9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium

C19H18BrN2+ — CID 53379395

IUPAC9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium
SMILESCc1c2c[n+](C)ccc2c(C)c2c1c1cc(Br)ccc1n2C
InChIInChI=1S/C19H18BrN2/c1-11-16-10-21(3)8-7-14(16)12(2)19-18(11)15-9-13(20)5-6-17(15)22(19)4/h5-10H,1-4H3/q+1
InChIKeyJTORCTKRAGYYTH-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.69
Rot. Bonds

About 9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium

9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium (PubChem CID 53379395) has the molecular formula C19H18BrN2+ and a molecular weight of 354.27 g/mol. Its IUPAC name is 9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium.

Molecular Properties

Compound Name9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium
PubChem CID53379395
Molecular FormulaC19H18BrN2+
Molecular Weight354.27 g/mol
Exact Mass353.06
IUPAC Name9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium
SMILESCc1c2c[n+](C)ccc2c(C)c2c1c1cc(Br)ccc1n2C
InChIInChI=1S/C19H18BrN2/c1-11-16-10-21(3)8-7-14(16)12(2)19-18(11)15-9-13(20)5-6-17(15)22(19)4/h5-10H,1-4H3/q+1
InChIKeyJTORCTKRAGYYTH-UHFFFAOYSA-N
XLogP4.69
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.69
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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Frequently Asked Questions

What is the IUPAC name of 9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium?
The IUPAC name of 9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium (CID 53379395) is 9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium.
What is the SMILES notation for 9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium?
The canonical SMILES for 9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium is Cc1c2c[n+](C)ccc2c(C)c2c1c1cc(Br)ccc1n2C.
What is the InChIKey of 9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium?
The InChIKey is JTORCTKRAGYYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN2/c1-11-16-10-21(3)8-7-14(16)12(2)19-18(11)15-9-13(20)5-6-17(15)22(19)4/h5-10H,1-4H3/q+1.
What are the key properties of 9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium?
9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium has a molecular weight of 354.27 g/mol, XLogP of 4.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium is sourced from PubChem (CID 53379395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).