2,6,11-trimethylpyrido[4,3-b]carbazol-2-ium iodide

C18H17IN2 — CID 127033766

IUPAC2,6,11-trimethylpyrido[4,3-b]carbazol-2-ium iodide
SMILESCc1c2c[n+](C)ccc2cc2c1c1ccccc1n2C.[I-]
InChIInChI=1S/C18H17N2.HI/c1-12-15-11-19(2)9-8-13(15)10-17-18(12)14-6-4-5-7-16(14)20(17)3;/h4-11H,1-3H3;1H/q+1;/p-1
InChIKeyABLCIRFOALJFEI-UHFFFAOYSA-M
MW388.25 g/mol
LogP0.62
Rot. Bonds

About 2,6,11-trimethylpyrido[4,3-b]carbazol-2-ium iodide

2,6,11-trimethylpyrido[4,3-b]carbazol-2-ium iodide (PubChem CID 127033766) has the molecular formula C18H17IN2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 2,6,11-trimethylpyrido[4,3-b]carbazol-2-ium iodide.

Molecular Properties

Compound Name2,6,11-trimethylpyrido[4,3-b]carbazol-2-ium iodide
PubChem CID127033766
Molecular FormulaC18H17IN2
Molecular Weight388.25 g/mol
Exact Mass388.04
IUPAC Name2,6,11-trimethylpyrido[4,3-b]carbazol-2-ium iodide
SMILESCc1c2c[n+](C)ccc2cc2c1c1ccccc1n2C.[I-]
InChIInChI=1S/C18H17N2.HI/c1-12-15-11-19(2)9-8-13(15)10-17-18(12)14-6-4-5-7-16(14)20(17)3;/h4-11H,1-3H3;1H/q+1;/p-1
InChIKeyABLCIRFOALJFEI-UHFFFAOYSA-M
XLogP0.62
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6,11-trimethylpyrido[4,3-b]carbazol-2-ium iodide?
The IUPAC name of 2,6,11-trimethylpyrido[4,3-b]carbazol-2-ium iodide (CID 127033766) is 2,6,11-trimethylpyrido[4,3-b]carbazol-2-ium iodide.
What is the SMILES notation for 2,6,11-trimethylpyrido[4,3-b]carbazol-2-ium iodide?
The canonical SMILES for 2,6,11-trimethylpyrido[4,3-b]carbazol-2-ium iodide is Cc1c2c[n+](C)ccc2cc2c1c1ccccc1n2C.[I-].
What is the InChIKey of 2,6,11-trimethylpyrido[4,3-b]carbazol-2-ium iodide?
The InChIKey is ABLCIRFOALJFEI-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H17N2.HI/c1-12-15-11-19(2)9-8-13(15)10-17-18(12)14-6-4-5-7-16(14)20(17)3;/h4-11H,1-3H3;1H/q+1;/p-1.
What are the key properties of 2,6,11-trimethylpyrido[4,3-b]carbazol-2-ium iodide?
2,6,11-trimethylpyrido[4,3-b]carbazol-2-ium iodide has a molecular weight of 388.25 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,11-trimethylpyrido[4,3-b]carbazol-2-ium iodide is sourced from PubChem (CID 127033766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).