5,6,11-trimethyl-2-oxidopyrido[4,3-b]carbazol-2-ium

C18H16N2O — CID 5037815

IUPAC5,6,11-trimethyl-2-oxidopyrido[4,3-b]carbazol-2-ium
SMILESCc1c2c[n+]([O-])ccc2c(C)c2c1c1ccccc1n2C
InChIInChI=1S/C18H16N2O/c1-11-15-10-20(21)9-8-13(15)12(2)18-17(11)14-6-4-5-7-16(14)19(18)3/h4-10H,1-3H3
InChIKeyPVNMIZFCBVDGOP-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.73
Rot. Bonds

About 5,6,11-trimethyl-2-oxidopyrido[4,3-b]carbazol-2-ium

5,6,11-trimethyl-2-oxidopyrido[4,3-b]carbazol-2-ium (PubChem CID 5037815) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5,6,11-trimethyl-2-oxidopyrido[4,3-b]carbazol-2-ium.

Molecular Properties

Compound Name5,6,11-trimethyl-2-oxidopyrido[4,3-b]carbazol-2-ium
PubChem CID5037815
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name5,6,11-trimethyl-2-oxidopyrido[4,3-b]carbazol-2-ium
SMILESCc1c2c[n+]([O-])ccc2c(C)c2c1c1ccccc1n2C
InChIInChI=1S/C18H16N2O/c1-11-15-10-20(21)9-8-13(15)12(2)18-17(11)14-6-4-5-7-16(14)19(18)3/h4-10H,1-3H3
InChIKeyPVNMIZFCBVDGOP-UHFFFAOYSA-N
XLogP3.73
TPSA31.87 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6,11,12-tetramethylindolo[3,2-b]carbazole
CID 134194403
5,6,7,12-tetramethylindolo[3,2-c]carbazole
CID 134194406
5,10,11-trimethylpyrido[2,3-b]carbazole
CID 155813687
2,5,6,11-tetramethylpyrido[4,3-b]carbazol-2-ium-9-olate;hydrochloride
CID 171375764
ethane;1,2,9-trimethylpyrido[3,4-b]indol-2-ium
CID 159069654
ethane;1,2,9-trimethylcarbazole
CID 160838686
carbanide;ethane;methanol;1,2,9-trimethylpyrido[3,4-b]indol-2-ium
CID 159560448
5,11-dimethylbenzo[a]carbazole
CID 58410472
9-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),2(10),3,5,7,11,13,15,17,19,21,23-dodecaene
CID 158780062
11-methyl-5,6-diphenylbenzo[a]carbazole
CID 102308000
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
1-ethyl-9-methylcarbazole
CID 21455608

Frequently Asked Questions

What is the IUPAC name of 5,6,11-trimethyl-2-oxidopyrido[4,3-b]carbazol-2-ium?
The IUPAC name of 5,6,11-trimethyl-2-oxidopyrido[4,3-b]carbazol-2-ium (CID 5037815) is 5,6,11-trimethyl-2-oxidopyrido[4,3-b]carbazol-2-ium.
What is the SMILES notation for 5,6,11-trimethyl-2-oxidopyrido[4,3-b]carbazol-2-ium?
The canonical SMILES for 5,6,11-trimethyl-2-oxidopyrido[4,3-b]carbazol-2-ium is Cc1c2c[n+]([O-])ccc2c(C)c2c1c1ccccc1n2C.
What is the InChIKey of 5,6,11-trimethyl-2-oxidopyrido[4,3-b]carbazol-2-ium?
The InChIKey is PVNMIZFCBVDGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-11-15-10-20(21)9-8-13(15)12(2)18-17(11)14-6-4-5-7-16(14)19(18)3/h4-10H,1-3H3.
What are the key properties of 5,6,11-trimethyl-2-oxidopyrido[4,3-b]carbazol-2-ium?
5,6,11-trimethyl-2-oxidopyrido[4,3-b]carbazol-2-ium has a molecular weight of 276.34 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,11-trimethyl-2-oxidopyrido[4,3-b]carbazol-2-ium is sourced from PubChem (CID 5037815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).