2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol iodide

C18H17IN2O — CID 12805652

IUPAC2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol iodide
SMILESCc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(O)cc12.[I-]
InChIInChI=1S/C18H16N2O.HI/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18;/h4-9,21H,1-3H3;1H
InChIKeyVBYXSZHHBDXMNX-UHFFFAOYSA-N
MW404.25 g/mol
LogP0.63
Rot. Bonds

About 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol iodide

2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol iodide (PubChem CID 12805652) has the molecular formula C18H17IN2O and a molecular weight of 404.25 g/mol. Its IUPAC name is 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol iodide.

Molecular Properties

Compound Name2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol iodide
PubChem CID12805652
Molecular FormulaC18H17IN2O
Molecular Weight404.25 g/mol
Exact Mass404.04
IUPAC Name2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol iodide
SMILESCc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(O)cc12.[I-]
InChIInChI=1S/C18H16N2O.HI/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18;/h4-9,21H,1-3H3;1H
InChIKeyVBYXSZHHBDXMNX-UHFFFAOYSA-N
XLogP0.63
TPSA39.90 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
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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Related Compounds

Serotonin
CID 5202
Bufotenine
CID 10257
N-Methylserotonin
CID 150885
Alpha-Methylserotonin
CID 2107
Roxindole
CID 219050
9-Hydroxyellipticine
CID 91643
9-Methoxy-5,11-Dimethyl-6H-Pyrido(4,3-B)Carbazole
CID 72512
Elliptinium Acetate
CID 42722
9-Hydroxy-2,5,11-trimethyl-6H-pyrido(4,3-b)carbazolium
CID 42723
Npc327132
CID 4048638
Retelliptine
CID 68913
9-Methoxy-2-methylellipticinium acetate
CID 362973

Frequently Asked Questions

What is the IUPAC name of 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol iodide?
The IUPAC name of 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol iodide (CID 12805652) is 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol iodide.
What is the SMILES notation for 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol iodide?
The canonical SMILES for 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol iodide is Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(O)cc12.[I-].
What is the InChIKey of 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol iodide?
The InChIKey is VBYXSZHHBDXMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O.HI/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18;/h4-9,21H,1-3H3;1H.
What are the key properties of 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol iodide?
2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol iodide has a molecular weight of 404.25 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol iodide is sourced from PubChem (CID 12805652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).