7-oxo-5,12-diphenylquinolino[3,2-b]phenazin-7-ium-14-one

C31H20N3O2+ — CID 59002279

IUPAC7-oxo-5,12-diphenylquinolino[3,2-b]phenazin-7-ium-14-one
SMILESO=c1c2ccccc2n(-c2ccccc2)c2cc3c(cc12)n(-c1ccccc1)c1ccccc1[n+]3=O
InChIInChI=1S/C31H20N3O2/c35-31-23-15-7-8-16-25(23)32(21-11-3-1-4-12-21)28-20-30-29(19-24(28)31)33(22-13-5-2-6-14-22)26-17-9-10-18-27(26)34(30)36/h1-20H/q+1
InChIKeyHEFXIYLYGKQQNK-UHFFFAOYSA-N
MW466.52 g/mol
LogP6.16
Rot. Bonds2

About 7-oxo-5,12-diphenylquinolino[3,2-b]phenazin-7-ium-14-one

7-oxo-5,12-diphenylquinolino[3,2-b]phenazin-7-ium-14-one (PubChem CID 59002279) has the molecular formula C31H20N3O2+ and a molecular weight of 466.52 g/mol. Its IUPAC name is 7-oxo-5,12-diphenylquinolino[3,2-b]phenazin-7-ium-14-one.

Molecular Properties

Compound Name7-oxo-5,12-diphenylquinolino[3,2-b]phenazin-7-ium-14-one
PubChem CID59002279
Molecular FormulaC31H20N3O2+
Molecular Weight466.52 g/mol
Exact Mass466.16
IUPAC Name7-oxo-5,12-diphenylquinolino[3,2-b]phenazin-7-ium-14-one
SMILESO=c1c2ccccc2n(-c2ccccc2)c2cc3c(cc12)n(-c1ccccc1)c1ccccc1[n+]3=O
InChIInChI=1S/C31H20N3O2/c35-31-23-15-7-8-16-25(23)32(21-11-3-1-4-12-21)28-20-30-29(19-24(28)31)33(22-13-5-2-6-14-22)26-17-9-10-18-27(26)34(30)36/h1-20H/q+1
InChIKeyHEFXIYLYGKQQNK-UHFFFAOYSA-N
XLogP6.16
TPSA49.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.52
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5,7-diphenylquinolino[3,2-b]acridine-12,14-dione
CID 146333918
3,6-difluoro-10-phenylacridin-9-one
CID 156785373
10-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]acridin-9-one
CID 91612597
3-fluoro-10-(4-phenylphenyl)acridin-9-one
CID 176670421
5-[4-[5-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]phenanthridin-6-one
CID 90379871
10-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridin-9-one
CID 89182990
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
23,30-diphenyl-23,30-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene
CID 134428340
3,6-ditert-butyl-10-phenylacridin-9-one
CID 139036050
13,30,47-triphenyl-3,13,20,30,37,47-hexazatridecacyclo[34.15.0.02,18.04,16.06,14.07,12.019,35.021,33.023,31.024,29.038,50.040,48.041,46]henpentaconta-1,4(16),5,7,9,11,14,18,21(33),22,24,26,28,31,35,38(50),39,41,43,45,48-henicosaene-17,34,51-trione
CID 142384549
2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]thiazolo[4,5-b]acridin-10-one
CID 90201692

Frequently Asked Questions

What is the IUPAC name of 7-oxo-5,12-diphenylquinolino[3,2-b]phenazin-7-ium-14-one?
The IUPAC name of 7-oxo-5,12-diphenylquinolino[3,2-b]phenazin-7-ium-14-one (CID 59002279) is 7-oxo-5,12-diphenylquinolino[3,2-b]phenazin-7-ium-14-one.
What is the SMILES notation for 7-oxo-5,12-diphenylquinolino[3,2-b]phenazin-7-ium-14-one?
The canonical SMILES for 7-oxo-5,12-diphenylquinolino[3,2-b]phenazin-7-ium-14-one is O=c1c2ccccc2n(-c2ccccc2)c2cc3c(cc12)n(-c1ccccc1)c1ccccc1[n+]3=O.
What is the InChIKey of 7-oxo-5,12-diphenylquinolino[3,2-b]phenazin-7-ium-14-one?
The InChIKey is HEFXIYLYGKQQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N3O2/c35-31-23-15-7-8-16-25(23)32(21-11-3-1-4-12-21)28-20-30-29(19-24(28)31)33(22-13-5-2-6-14-22)26-17-9-10-18-27(26)34(30)36/h1-20H/q+1.
What are the key properties of 7-oxo-5,12-diphenylquinolino[3,2-b]phenazin-7-ium-14-one?
7-oxo-5,12-diphenylquinolino[3,2-b]phenazin-7-ium-14-one has a molecular weight of 466.52 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-5,12-diphenylquinolino[3,2-b]phenazin-7-ium-14-one is sourced from PubChem (CID 59002279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).