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

C19H18BrIN2 — CID 53379394

IUPAC9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium iodide
SMILESCc1c2c[n+](C)ccc2c(C)c2c1c1cc(Br)ccc1n2C.[I-]
InChIInChI=1S/C19H18BrN2.HI/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;1H/q+1;/p-1
InChIKeyDLDYJCCAQXAOJR-UHFFFAOYSA-M
MW481.18 g/mol
LogP1.69
Rot. Bonds

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

9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium iodide (PubChem CID 53379394) has the molecular formula C19H18BrIN2 and a molecular weight of 481.18 g/mol. Its IUPAC name is 9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium iodide.

Molecular Properties

Compound Name9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium iodide
PubChem CID53379394
Molecular FormulaC19H18BrIN2
Molecular Weight481.18 g/mol
Exact Mass479.97
IUPAC Name9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium iodide
SMILESCc1c2c[n+](C)ccc2c(C)c2c1c1cc(Br)ccc1n2C.[I-]
InChIInChI=1S/C19H18BrN2.HI/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;1H/q+1;/p-1
InChIKeyDLDYJCCAQXAOJR-UHFFFAOYSA-M
XLogP1.69
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.18
LogP ≤ 51.69
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 9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium iodide?
The IUPAC name of 9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium iodide (CID 53379394) is 9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium iodide.
What is the SMILES notation for 9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium iodide?
The canonical SMILES for 9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium iodide is Cc1c2c[n+](C)ccc2c(C)c2c1c1cc(Br)ccc1n2C.[I-].
What is the InChIKey of 9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium iodide?
The InChIKey is DLDYJCCAQXAOJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18BrN2.HI/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;1H/q+1;/p-1.
What are the key properties of 9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium iodide?
9-bromo-2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium iodide has a molecular weight of 481.18 g/mol, XLogP of 1.69, 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 iodide is sourced from PubChem (CID 53379394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).