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

C18H18IN2+ — CID 161443483

IUPAC2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;hydroiodide
SMILESCc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccccc12.I
InChIInChI=1S/C18H16N2.HI/c1-11-15-10-20(3)9-8-13(15)12(2)18-17(11)14-6-4-5-7-16(14)19-18;/h4-10H,1-3H3;1H/p+1
InChIKeyIEBAEDRKJIAQLM-UHFFFAOYSA-O
MW389.26 g/mol
LogP4.53
Rot. Bonds

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

2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;hydroiodide (PubChem CID 161443483) has the molecular formula C18H18IN2+ and a molecular weight of 389.26 g/mol. Its IUPAC name is 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;hydroiodide.

Molecular Properties

Compound Name2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;hydroiodide
PubChem CID161443483
Molecular FormulaC18H18IN2+
Molecular Weight389.26 g/mol
Exact Mass389.05
IUPAC Name2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;hydroiodide
SMILESCc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccccc12.I
InChIInChI=1S/C18H16N2.HI/c1-11-15-10-20(3)9-8-13(15)12(2)18-17(11)14-6-4-5-7-16(14)19-18;/h4-10H,1-3H3;1H/p+1
InChIKeyIEBAEDRKJIAQLM-UHFFFAOYSA-O
XLogP4.53
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,11-dimethyl-2-propyl-6H-pyrido[4,3-b]carbazol-2-ium;hydrobromide
CID 158096242
2-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium bromide
CID 71683150
2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine
CID 90682276
4-(5,11-dimethyl-10H-pyrido[3,4-b]carbazol-2-ium-2-yl)butanenitrile chloride
CID 70676740
N-(3-aminopropyl)-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride
CID 134156652
2,11-dimethyl-N-[2-(methylcarbamoylamino)ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride
CID 134152658
2-(5-azidopentyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium
CID 121242027
N-[2-(2-aminoethoxy)ethyl]-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide
CID 134149656
(3S,4R,5S)-2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol bromide
CID 46874352
azane;5,11-dimethyl-6H-pyrido[4,3-b]carbazole
CID 118981774
5-ethyl-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol
CID 71341368
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 121241710

Frequently Asked Questions

What is the IUPAC name of 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;hydroiodide?
The IUPAC name of 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;hydroiodide (CID 161443483) is 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;hydroiodide.
What is the SMILES notation for 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;hydroiodide?
The canonical SMILES for 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;hydroiodide is Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccccc12.I.
What is the InChIKey of 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;hydroiodide?
The InChIKey is IEBAEDRKJIAQLM-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H16N2.HI/c1-11-15-10-20(3)9-8-13(15)12(2)18-17(11)14-6-4-5-7-16(14)19-18;/h4-10H,1-3H3;1H/p+1.
What are the key properties of 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;hydroiodide?
2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;hydroiodide has a molecular weight of 389.26 g/mol, XLogP of 4.53, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;hydroiodide is sourced from PubChem (CID 161443483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).