9-methoxy-1-(4-methoxyphenyl)-2,5,6-trimethylpyrido[4,3-b]carbazol-2-ium

C26H25N2O2+ — CID 11519289

IUPAC9-methoxy-1-(4-methoxyphenyl)-2,5,6-trimethylpyrido[4,3-b]carbazol-2-ium
SMILESCOc1ccc(-c2c3cc4c5cc(OC)ccc5n(C)c4c(C)c3cc[n+]2C)cc1
InChIInChI=1S/C26H25N2O2/c1-16-20-12-13-27(2)26(17-6-8-18(29-4)9-7-17)22(20)15-23-21-14-19(30-5)10-11-24(21)28(3)25(16)23/h6-15H,1-5H3/q+1
InChIKeyBKGYQSQFXAFIJG-UHFFFAOYSA-N
MW397.50 g/mol
LogP5.30
Rot. Bonds3

About 9-methoxy-1-(4-methoxyphenyl)-2,5,6-trimethylpyrido[4,3-b]carbazol-2-ium

9-methoxy-1-(4-methoxyphenyl)-2,5,6-trimethylpyrido[4,3-b]carbazol-2-ium (PubChem CID 11519289) has the molecular formula C26H25N2O2+ and a molecular weight of 397.50 g/mol. Its IUPAC name is 9-methoxy-1-(4-methoxyphenyl)-2,5,6-trimethylpyrido[4,3-b]carbazol-2-ium.

Molecular Properties

Compound Name9-methoxy-1-(4-methoxyphenyl)-2,5,6-trimethylpyrido[4,3-b]carbazol-2-ium
PubChem CID11519289
Molecular FormulaC26H25N2O2+
Molecular Weight397.50 g/mol
Exact Mass397.19
IUPAC Name9-methoxy-1-(4-methoxyphenyl)-2,5,6-trimethylpyrido[4,3-b]carbazol-2-ium
SMILESCOc1ccc(-c2c3cc4c5cc(OC)ccc5n(C)c4c(C)c3cc[n+]2C)cc1
InChIInChI=1S/C26H25N2O2/c1-16-20-12-13-27(2)26(17-6-8-18(29-4)9-7-17)22(20)15-23-21-14-19(30-5)10-11-24(21)28(3)25(16)23/h6-15H,1-5H3/q+1
InChIKeyBKGYQSQFXAFIJG-UHFFFAOYSA-N
XLogP5.30
TPSA27.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-1-(4-methoxyphenyl)-2-methylisoquinolin-2-ium chloride
CID 21418188
ethane;5-methoxy-1,2,3-trimethylindole
CID 143529502
2-(chloromethyl)-9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium;(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium-2-yl)methyl-trimethylgermane
CID 159300542
4-chloro-6-methoxy-1,3-dimethylquinolin-2-one
CID 171338243
5,6-dimethyl-9-pyridin-4-yloxypyrido[4,3-b]carbazole
CID 162755227
[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethyl-2-oxidopyrido[4,3-b]carbazol-2-ium-9-yl] acetate;dihydrochloride
CID 22117406
6-methoxy-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one
CID 84638183
9-methoxy-5-methylcyclohepta[b]indol-6-one
CID 10561977
5-methoxy-1,2-dimethyl-3-propan-2-ylindole
CID 167327667
5-(4-methoxyphenyl)-1,3-dimethylindole-2-carboxamide
CID 174893030
14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 140871342
7-methoxy-2-[8-(7-methoxy-1,9-dimethylpyrido[3,4-b]indol-2-ium-2-yl)octyl]-1,9-dimethylpyrido[3,4-b]indol-2-ium dibromide
CID 127045953

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-1-(4-methoxyphenyl)-2,5,6-trimethylpyrido[4,3-b]carbazol-2-ium?
The IUPAC name of 9-methoxy-1-(4-methoxyphenyl)-2,5,6-trimethylpyrido[4,3-b]carbazol-2-ium (CID 11519289) is 9-methoxy-1-(4-methoxyphenyl)-2,5,6-trimethylpyrido[4,3-b]carbazol-2-ium.
What is the SMILES notation for 9-methoxy-1-(4-methoxyphenyl)-2,5,6-trimethylpyrido[4,3-b]carbazol-2-ium?
The canonical SMILES for 9-methoxy-1-(4-methoxyphenyl)-2,5,6-trimethylpyrido[4,3-b]carbazol-2-ium is COc1ccc(-c2c3cc4c5cc(OC)ccc5n(C)c4c(C)c3cc[n+]2C)cc1.
What is the InChIKey of 9-methoxy-1-(4-methoxyphenyl)-2,5,6-trimethylpyrido[4,3-b]carbazol-2-ium?
The InChIKey is BKGYQSQFXAFIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N2O2/c1-16-20-12-13-27(2)26(17-6-8-18(29-4)9-7-17)22(20)15-23-21-14-19(30-5)10-11-24(21)28(3)25(16)23/h6-15H,1-5H3/q+1.
What are the key properties of 9-methoxy-1-(4-methoxyphenyl)-2,5,6-trimethylpyrido[4,3-b]carbazol-2-ium?
9-methoxy-1-(4-methoxyphenyl)-2,5,6-trimethylpyrido[4,3-b]carbazol-2-ium has a molecular weight of 397.50 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-1-(4-methoxyphenyl)-2,5,6-trimethylpyrido[4,3-b]carbazol-2-ium is sourced from PubChem (CID 11519289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).