9-chloro-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium

C18H16ClN2+ — CID 3332765

IUPAC9-chloro-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium
SMILESCc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(Cl)cc12
InChIInChI=1S/C18H15ClN2/c1-10-15-9-21(3)7-6-13(15)11(2)18-17(10)14-8-12(19)4-5-16(14)20-18/h4-9H,1-3H3/p+1
InChIKeyVGJDFFFWUKUMJT-UHFFFAOYSA-O
MW295.79 g/mol
LogP4.57
Rot. Bonds

About 9-chloro-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium

9-chloro-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium (PubChem CID 3332765) has the molecular formula C18H16ClN2+ and a molecular weight of 295.79 g/mol. Its IUPAC name is 9-chloro-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium.

Molecular Properties

Compound Name9-chloro-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium
PubChem CID3332765
Molecular FormulaC18H16ClN2+
Molecular Weight295.79 g/mol
Exact Mass295.10
IUPAC Name9-chloro-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium
SMILESCc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(Cl)cc12
InChIInChI=1S/C18H15ClN2/c1-10-15-9-21(3)7-6-13(15)11(2)18-17(10)14-8-12(19)4-5-16(14)20-18/h4-9H,1-3H3/p+1
InChIKeyVGJDFFFWUKUMJT-UHFFFAOYSA-O
XLogP4.57
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 54.57
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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Frequently Asked Questions

What is the IUPAC name of 9-chloro-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium?
The IUPAC name of 9-chloro-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium (CID 3332765) is 9-chloro-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium.
What is the SMILES notation for 9-chloro-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium?
The canonical SMILES for 9-chloro-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium is Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(Cl)cc12.
What is the InChIKey of 9-chloro-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium?
The InChIKey is VGJDFFFWUKUMJT-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15ClN2/c1-10-15-9-21(3)7-6-13(15)11(2)18-17(10)14-8-12(19)4-5-16(14)20-18/h4-9H,1-3H3/p+1.
What are the key properties of 9-chloro-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium?
9-chloro-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium has a molecular weight of 295.79 g/mol, XLogP of 4.57, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium is sourced from PubChem (CID 3332765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).