2,5,6-trimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-2-ium-9-ol

C24H20N3O3+ — CID 11548196

IUPAC2,5,6-trimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-2-ium-9-ol
SMILESCc1c2cc[n+](C)c(-c3ccc([N+](=O)[O-])cc3)c2cc2c3cc(O)ccc3n(C)c12
InChIInChI=1S/C24H19N3O3/c1-14-18-10-11-25(2)24(15-4-6-16(7-5-15)27(29)30)20(18)13-21-19-12-17(28)8-9-22(19)26(3)23(14)21/h4-13H,1-3H3/p+1
InChIKeyGUGARKJBOAGACK-UHFFFAOYSA-O
MW398.44 g/mol
LogP4.90
Rot. Bonds2

About 2,5,6-trimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-2-ium-9-ol

2,5,6-trimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-2-ium-9-ol (PubChem CID 11548196) has the molecular formula C24H20N3O3+ and a molecular weight of 398.44 g/mol. Its IUPAC name is 2,5,6-trimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-2-ium-9-ol.

Molecular Properties

Compound Name2,5,6-trimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-2-ium-9-ol
PubChem CID11548196
Molecular FormulaC24H20N3O3+
Molecular Weight398.44 g/mol
Exact Mass398.15
IUPAC Name2,5,6-trimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-2-ium-9-ol
SMILESCc1c2cc[n+](C)c(-c3ccc([N+](=O)[O-])cc3)c2cc2c3cc(O)ccc3n(C)c12
InChIInChI=1S/C24H19N3O3/c1-14-18-10-11-25(2)24(15-4-6-16(7-5-15)27(29)30)20(18)13-21-19-12-17(28)8-9-22(19)26(3)23(14)21/h4-13H,1-3H3/p+1
InChIKeyGUGARKJBOAGACK-UHFFFAOYSA-O
XLogP4.90
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-9-ol
CID 11703666
9-methoxy-1-(4-methoxyphenyl)-2,5,6-trimethylpyrido[4,3-b]carbazol-2-ium
CID 11519289
7-amino-8,9-dimethyl-6-nitrocarbazol-3-ol
CID 71415856
1-(hydroxymethyl)-5,6-dimethylpyrido[4,3-b]carbazol-9-ol
CID 71509562
3-methyl-4-(4-nitrophenyl)phenol
CID 118072447
4-methylphenol;4-nitrophenol
CID 68529378
4-methyl-7-(4-nitrophenyl)-1,2-dihydrocyclopenta[b]indol-3-one
CID 54763291
4-nitrophenol
CID 88714583
1-methyl-2-[4-(1-methyl-5-nitrobenzimidazol-2-yl)phenyl]-5-nitrobenzimidazole
CID 138618315
1-tert-butyl-9-methyl-3-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]-6-nitropyrido[3,4-b]indole
CID 163215981
4-nitro-1-oxidopyridin-1-ium;4-(4-nitrophenyl)phenol
CID 139089084
1,3-dimethyl-6-nitroquinazoline-2,4-dione
CID 12666513

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-2-ium-9-ol?
The IUPAC name of 2,5,6-trimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-2-ium-9-ol (CID 11548196) is 2,5,6-trimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-2-ium-9-ol.
What is the SMILES notation for 2,5,6-trimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-2-ium-9-ol?
The canonical SMILES for 2,5,6-trimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-2-ium-9-ol is Cc1c2cc[n+](C)c(-c3ccc([N+](=O)[O-])cc3)c2cc2c3cc(O)ccc3n(C)c12.
What is the InChIKey of 2,5,6-trimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-2-ium-9-ol?
The InChIKey is GUGARKJBOAGACK-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H19N3O3/c1-14-18-10-11-25(2)24(15-4-6-16(7-5-15)27(29)30)20(18)13-21-19-12-17(28)8-9-22(19)26(3)23(14)21/h4-13H,1-3H3/p+1.
What are the key properties of 2,5,6-trimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-2-ium-9-ol?
2,5,6-trimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-2-ium-9-ol has a molecular weight of 398.44 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-2-ium-9-ol is sourced from PubChem (CID 11548196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).