5,12-dimethyl-2,9-bis(2,4,6-trifluorophenyl)quinolino[2,3-b]acridine-7,14-dione

C34H18F6N2O2 — CID 138622453

IUPAC5,12-dimethyl-2,9-bis(2,4,6-trifluorophenyl)quinolino[2,3-b]acridine-7,14-dione
SMILESCn1c2ccc(-c3c(F)cc(F)cc3F)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2c(F)cc(F)cc2F)ccc1n3C
InChIInChI=1S/C34H18F6N2O2/c1-41-27-5-3-15(31-23(37)9-17(35)10-24(31)38)7-19(27)33(43)21-14-30-22(13-29(21)41)34(44)20-8-16(4-6-28(20)42(30)2)32-25(39)11-18(36)12-26(32)40/h3-14H,1-2H3
InChIKeyMZEAOYKJTQTHPZ-UHFFFAOYSA-N
MW600.52 g/mol
LogP7.87
Rot. Bonds2

About 5,12-dimethyl-2,9-bis(2,4,6-trifluorophenyl)quinolino[2,3-b]acridine-7,14-dione

5,12-dimethyl-2,9-bis(2,4,6-trifluorophenyl)quinolino[2,3-b]acridine-7,14-dione (PubChem CID 138622453) has the molecular formula C34H18F6N2O2 and a molecular weight of 600.52 g/mol. Its IUPAC name is 5,12-dimethyl-2,9-bis(2,4,6-trifluorophenyl)quinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name5,12-dimethyl-2,9-bis(2,4,6-trifluorophenyl)quinolino[2,3-b]acridine-7,14-dione
PubChem CID138622453
Molecular FormulaC34H18F6N2O2
Molecular Weight600.52 g/mol
Exact Mass600.13
IUPAC Name5,12-dimethyl-2,9-bis(2,4,6-trifluorophenyl)quinolino[2,3-b]acridine-7,14-dione
SMILESCn1c2ccc(-c3c(F)cc(F)cc3F)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2c(F)cc(F)cc2F)ccc1n3C
InChIInChI=1S/C34H18F6N2O2/c1-41-27-5-3-15(31-23(37)9-17(35)10-24(31)38)7-19(27)33(43)21-14-30-22(13-29(21)41)34(44)20-8-16(4-6-28(20)42(30)2)32-25(39)11-18(36)12-26(32)40/h3-14H,1-2H3
InChIKeyMZEAOYKJTQTHPZ-UHFFFAOYSA-N
XLogP7.87
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.52
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,12-dimethyl-2,9-bis(2,4,6-trifluorophenyl)quinolino[2,3-b]acridine-7,14-dione with MolForge

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Related Compounds

2,9-bis(2-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 138622627
5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779
10-methyl-2-phenylacridin-9-one
CID 18533849
2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 138622625
5,12-dimethyl-2,9-bis(1,2,2-trifluoroethenyl)quinolino[2,3-b]acridine-7,14-dione
CID 89419129
2-fluoro-10-methyl-6-thiophen-2-ylacridin-9-one
CID 139804633
2,9-bis(1-benzothiophen-4-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 138622669
2,4,5,12-tetramethyl-9-[2-(trifluoromethyl)phenyl]quinolino[2,3-b]acridine-7,14-dione
CID 138622461
6-chloro-2-(3,5-difluorophenyl)-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 162436443
9-[3-[4-(5-butyl-2,9-dinaphthalen-1-yl-7,14-dioxoquinolino[2,3-b]acridin-12-yl)butyl]dibenzothiophen-4-yl]-1,3-difluoro-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 138622460
2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one
CID 56956863
1,3,8,10-tetrakis(4-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 139320969

Frequently Asked Questions

What is the IUPAC name of 5,12-dimethyl-2,9-bis(2,4,6-trifluorophenyl)quinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 5,12-dimethyl-2,9-bis(2,4,6-trifluorophenyl)quinolino[2,3-b]acridine-7,14-dione (CID 138622453) is 5,12-dimethyl-2,9-bis(2,4,6-trifluorophenyl)quinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 5,12-dimethyl-2,9-bis(2,4,6-trifluorophenyl)quinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 5,12-dimethyl-2,9-bis(2,4,6-trifluorophenyl)quinolino[2,3-b]acridine-7,14-dione is Cn1c2ccc(-c3c(F)cc(F)cc3F)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2c(F)cc(F)cc2F)ccc1n3C.
What is the InChIKey of 5,12-dimethyl-2,9-bis(2,4,6-trifluorophenyl)quinolino[2,3-b]acridine-7,14-dione?
The InChIKey is MZEAOYKJTQTHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18F6N2O2/c1-41-27-5-3-15(31-23(37)9-17(35)10-24(31)38)7-19(27)33(43)21-14-30-22(13-29(21)41)34(44)20-8-16(4-6-28(20)42(30)2)32-25(39)11-18(36)12-26(32)40/h3-14H,1-2H3.
What are the key properties of 5,12-dimethyl-2,9-bis(2,4,6-trifluorophenyl)quinolino[2,3-b]acridine-7,14-dione?
5,12-dimethyl-2,9-bis(2,4,6-trifluorophenyl)quinolino[2,3-b]acridine-7,14-dione has a molecular weight of 600.52 g/mol, XLogP of 7.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-dimethyl-2,9-bis(2,4,6-trifluorophenyl)quinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 138622453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).