5,11-dimethyl-6H-pyrido[4,3-b]carbazole-9-carbaldehyde

C18H14N2O — CID 11807891

IUPAC5,11-dimethyl-6H-pyrido[4,3-b]carbazole-9-carbaldehyde
SMILESCc1c2ccncc2c(C)c2c1[nH]c1ccc(C=O)cc12
InChIInChI=1S/C18H14N2O/c1-10-15-8-19-6-5-13(15)11(2)18-17(10)14-7-12(9-21)3-4-16(14)20-18/h3-9,20H,1-2H3
InChIKeyAYMPHBNENQLEHF-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.30
Rot. Bonds1

About 5,11-dimethyl-6H-pyrido[4,3-b]carbazole-9-carbaldehyde

5,11-dimethyl-6H-pyrido[4,3-b]carbazole-9-carbaldehyde (PubChem CID 11807891) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 5,11-dimethyl-6H-pyrido[4,3-b]carbazole-9-carbaldehyde.

Molecular Properties

Compound Name5,11-dimethyl-6H-pyrido[4,3-b]carbazole-9-carbaldehyde
PubChem CID11807891
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name5,11-dimethyl-6H-pyrido[4,3-b]carbazole-9-carbaldehyde
SMILESCc1c2ccncc2c(C)c2c1[nH]c1ccc(C=O)cc12
InChIInChI=1S/C18H14N2O/c1-10-15-8-19-6-5-13(15)11(2)18-17(10)14-7-12(9-21)3-4-16(14)20-18/h3-9,20H,1-2H3
InChIKeyAYMPHBNENQLEHF-UHFFFAOYSA-N
XLogP4.30
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,11-dimethyl-6H-pyrido[4,3-b]carbazole-9-carbaldehyde?
The IUPAC name of 5,11-dimethyl-6H-pyrido[4,3-b]carbazole-9-carbaldehyde (CID 11807891) is 5,11-dimethyl-6H-pyrido[4,3-b]carbazole-9-carbaldehyde.
What is the SMILES notation for 5,11-dimethyl-6H-pyrido[4,3-b]carbazole-9-carbaldehyde?
The canonical SMILES for 5,11-dimethyl-6H-pyrido[4,3-b]carbazole-9-carbaldehyde is Cc1c2ccncc2c(C)c2c1[nH]c1ccc(C=O)cc12.
What is the InChIKey of 5,11-dimethyl-6H-pyrido[4,3-b]carbazole-9-carbaldehyde?
The InChIKey is AYMPHBNENQLEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-10-15-8-19-6-5-13(15)11(2)18-17(10)14-7-12(9-21)3-4-16(14)20-18/h3-9,20H,1-2H3.
What are the key properties of 5,11-dimethyl-6H-pyrido[4,3-b]carbazole-9-carbaldehyde?
5,11-dimethyl-6H-pyrido[4,3-b]carbazole-9-carbaldehyde has a molecular weight of 274.32 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-6H-pyrido[4,3-b]carbazole-9-carbaldehyde is sourced from PubChem (CID 11807891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).