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

C23H17N3O3 — CID 11703666

IUPAC5,6-dimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-9-ol
SMILESCc1c2ccnc(-c3ccc([N+](=O)[O-])cc3)c2cc2c3cc(O)ccc3n(C)c12
InChIInChI=1S/C23H17N3O3/c1-13-17-9-10-24-22(14-3-5-15(6-4-14)26(28)29)19(17)12-20-18-11-16(27)7-8-21(18)25(2)23(13)20/h3-12,27H,1-2H3
InChIKeyCPLKZGQUKHXOFM-UHFFFAOYSA-N
MW383.41 g/mol
LogP5.47
Rot. Bonds2

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

5,6-dimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-9-ol (PubChem CID 11703666) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 5,6-dimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-9-ol.

Molecular Properties

Compound Name5,6-dimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-9-ol
PubChem CID11703666
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name5,6-dimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-9-ol
SMILESCc1c2ccnc(-c3ccc([N+](=O)[O-])cc3)c2cc2c3cc(O)ccc3n(C)c12
InChIInChI=1S/C23H17N3O3/c1-13-17-9-10-24-22(14-3-5-15(6-4-14)26(28)29)19(17)12-20-18-11-16(27)7-8-21(18)25(2)23(13)20/h3-12,27H,1-2H3
InChIKeyCPLKZGQUKHXOFM-UHFFFAOYSA-N
XLogP5.47
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.41
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5,6-trimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-2-ium-9-ol
CID 11548196
1-(hydroxymethyl)-5,6-dimethylpyrido[4,3-b]carbazol-9-ol
CID 71509562
7-amino-8,9-dimethyl-6-nitrocarbazol-3-ol
CID 71415856
5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylic acid
CID 162755099
6-nitro-1-(4-nitrophenyl)-9H-pyrido[3,4-b]indole
CID 73441786
3-methyl-4-(4-nitrophenyl)phenol
CID 118072447
1-methyl-2-[4-(1-methyl-5-nitrobenzimidazol-2-yl)phenyl]-5-nitrobenzimidazole
CID 138618315
4-methylphenol;4-nitrophenol
CID 68529378
2-[1-(4-nitrophenyl)isoquinolin-5-yl]acetic acid
CID 12851866
1,3-dimethyl-6-nitroquinazoline-2,4-dione
CID 12666513
4-(4-nitrophenyl)pyrazolo[1,5-a]pyrazine
CID 139599922
4-methyl-7-(4-nitrophenyl)-1,2-dihydrocyclopenta[b]indol-3-one
CID 54763291

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-9-ol?
The IUPAC name of 5,6-dimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-9-ol (CID 11703666) is 5,6-dimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-9-ol.
What is the SMILES notation for 5,6-dimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-9-ol?
The canonical SMILES for 5,6-dimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-9-ol is Cc1c2ccnc(-c3ccc([N+](=O)[O-])cc3)c2cc2c3cc(O)ccc3n(C)c12.
What is the InChIKey of 5,6-dimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-9-ol?
The InChIKey is CPLKZGQUKHXOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c1-13-17-9-10-24-22(14-3-5-15(6-4-14)26(28)29)19(17)12-20-18-11-16(27)7-8-21(18)25(2)23(13)20/h3-12,27H,1-2H3.
What are the key properties of 5,6-dimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-9-ol?
5,6-dimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-9-ol has a molecular weight of 383.41 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-(4-nitrophenyl)pyrido[4,3-b]carbazol-9-ol is sourced from PubChem (CID 11703666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).