9-bromo-5,6,11-trimethylpyrido[4,3-b]carbazole

C18H15BrN2 — CID 56673067

IUPAC9-bromo-5,6,11-trimethylpyrido[4,3-b]carbazole
SMILESCc1c2cnccc2c(C)c2c1c1cc(Br)ccc1n2C
InChIInChI=1S/C18H15BrN2/c1-10-15-9-20-7-6-13(15)11(2)18-17(10)14-8-12(19)4-5-16(14)21(18)3/h4-9H,1-3H3
InChIKeyNLSUJHPLOGTMNB-UHFFFAOYSA-N
MW339.24 g/mol
LogP5.26
Rot. Bonds

About 9-bromo-5,6,11-trimethylpyrido[4,3-b]carbazole

9-bromo-5,6,11-trimethylpyrido[4,3-b]carbazole (PubChem CID 56673067) has the molecular formula C18H15BrN2 and a molecular weight of 339.24 g/mol. Its IUPAC name is 9-bromo-5,6,11-trimethylpyrido[4,3-b]carbazole.

Molecular Properties

Compound Name9-bromo-5,6,11-trimethylpyrido[4,3-b]carbazole
PubChem CID56673067
Molecular FormulaC18H15BrN2
Molecular Weight339.24 g/mol
Exact Mass338.04
IUPAC Name9-bromo-5,6,11-trimethylpyrido[4,3-b]carbazole
SMILESCc1c2cnccc2c(C)c2c1c1cc(Br)ccc1n2C
InChIInChI=1S/C18H15BrN2/c1-10-15-9-20-7-6-13(15)11(2)18-17(10)14-8-12(19)4-5-16(14)21(18)3/h4-9H,1-3H3
InChIKeyNLSUJHPLOGTMNB-UHFFFAOYSA-N
XLogP5.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.24
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-5,6,11-trimethylpyrido[4,3-b]carbazole?
The IUPAC name of 9-bromo-5,6,11-trimethylpyrido[4,3-b]carbazole (CID 56673067) is 9-bromo-5,6,11-trimethylpyrido[4,3-b]carbazole.
What is the SMILES notation for 9-bromo-5,6,11-trimethylpyrido[4,3-b]carbazole?
The canonical SMILES for 9-bromo-5,6,11-trimethylpyrido[4,3-b]carbazole is Cc1c2cnccc2c(C)c2c1c1cc(Br)ccc1n2C.
What is the InChIKey of 9-bromo-5,6,11-trimethylpyrido[4,3-b]carbazole?
The InChIKey is NLSUJHPLOGTMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2/c1-10-15-9-20-7-6-13(15)11(2)18-17(10)14-8-12(19)4-5-16(14)21(18)3/h4-9H,1-3H3.
What are the key properties of 9-bromo-5,6,11-trimethylpyrido[4,3-b]carbazole?
9-bromo-5,6,11-trimethylpyrido[4,3-b]carbazole has a molecular weight of 339.24 g/mol, XLogP of 5.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-5,6,11-trimethylpyrido[4,3-b]carbazole is sourced from PubChem (CID 56673067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).