2,4,5,12-tetramethyl-9-[2-(trifluoromethyl)phenyl]quinolino[2,3-b]acridine-7,14-dione

C31H23F3N2O2 — CID 138622461

IUPAC2,4,5,12-tetramethyl-9-[2-(trifluoromethyl)phenyl]quinolino[2,3-b]acridine-7,14-dione
SMILESCc1cc(C)c2c(c1)c(=O)c1cc3c(cc1n2C)c(=O)c1cc(-c2ccccc2C(F)(F)F)ccc1n3C
InChIInChI=1S/C31H23F3N2O2/c1-16-11-17(2)28-23(12-16)30(38)22-14-26-21(15-27(22)36(28)4)29(37)20-13-18(9-10-25(20)35(26)3)19-7-5-6-8-24(19)31(32,33)34/h5-15H,1-4H3
InChIKeyXQBKQDSBIZXVSD-UHFFFAOYSA-N
MW512.53 g/mol
LogP7.00
Rot. Bonds1

About 2,4,5,12-tetramethyl-9-[2-(trifluoromethyl)phenyl]quinolino[2,3-b]acridine-7,14-dione

2,4,5,12-tetramethyl-9-[2-(trifluoromethyl)phenyl]quinolino[2,3-b]acridine-7,14-dione (PubChem CID 138622461) has the molecular formula C31H23F3N2O2 and a molecular weight of 512.53 g/mol. Its IUPAC name is 2,4,5,12-tetramethyl-9-[2-(trifluoromethyl)phenyl]quinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name2,4,5,12-tetramethyl-9-[2-(trifluoromethyl)phenyl]quinolino[2,3-b]acridine-7,14-dione
PubChem CID138622461
Molecular FormulaC31H23F3N2O2
Molecular Weight512.53 g/mol
Exact Mass512.17
IUPAC Name2,4,5,12-tetramethyl-9-[2-(trifluoromethyl)phenyl]quinolino[2,3-b]acridine-7,14-dione
SMILESCc1cc(C)c2c(c1)c(=O)c1cc3c(cc1n2C)c(=O)c1cc(-c2ccccc2C(F)(F)F)ccc1n3C
InChIInChI=1S/C31H23F3N2O2/c1-16-11-17(2)28-23(12-16)30(38)22-14-26-21(15-27(22)36(28)4)29(37)20-13-18(9-10-25(20)35(26)3)19-7-5-6-8-24(19)31(32,33)34/h5-15H,1-4H3
InChIKeyXQBKQDSBIZXVSD-UHFFFAOYSA-N
XLogP7.00
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.53
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,9-bis(2-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 138622627
6-[3-(6,9-dimethylcarbazol-3-yl)-5-methylphenyl]-1,3,9-trimethylcarbazole
CID 122492165
2,4,5,9,11-pentamethyl-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139791360
4,11-bis(2-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-bis[4-(trifluoromethyl)phenyl]quinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-bis(2,4,6-trifluorophenyl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-11-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]quinolino[2,3-b]acridine-7,14-dione
CID 158705348
2,9-bis(1-benzothiophen-4-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 138622669
3-(2-methylphenyl)-6-[2-(trifluoromethyl)phenyl]phenanthrene-9,10-dione
CID 58301297
5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779
2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene
CID 123409269
3-methyl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-one
CID 166273309
5,12-dimethyl-2,9-bis(2,4,6-trifluorophenyl)quinolino[2,3-b]acridine-7,14-dione
CID 138622453
10-methyl-2-phenylacridin-9-one
CID 18533849
1,2-dimethyl-4-[2-(trifluoromethyl)phenyl]benzene;ethane;methanol
CID 143634112

Frequently Asked Questions

What is the IUPAC name of 2,4,5,12-tetramethyl-9-[2-(trifluoromethyl)phenyl]quinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 2,4,5,12-tetramethyl-9-[2-(trifluoromethyl)phenyl]quinolino[2,3-b]acridine-7,14-dione (CID 138622461) is 2,4,5,12-tetramethyl-9-[2-(trifluoromethyl)phenyl]quinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 2,4,5,12-tetramethyl-9-[2-(trifluoromethyl)phenyl]quinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 2,4,5,12-tetramethyl-9-[2-(trifluoromethyl)phenyl]quinolino[2,3-b]acridine-7,14-dione is Cc1cc(C)c2c(c1)c(=O)c1cc3c(cc1n2C)c(=O)c1cc(-c2ccccc2C(F)(F)F)ccc1n3C.
What is the InChIKey of 2,4,5,12-tetramethyl-9-[2-(trifluoromethyl)phenyl]quinolino[2,3-b]acridine-7,14-dione?
The InChIKey is XQBKQDSBIZXVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F3N2O2/c1-16-11-17(2)28-23(12-16)30(38)22-14-26-21(15-27(22)36(28)4)29(37)20-13-18(9-10-25(20)35(26)3)19-7-5-6-8-24(19)31(32,33)34/h5-15H,1-4H3.
What are the key properties of 2,4,5,12-tetramethyl-9-[2-(trifluoromethyl)phenyl]quinolino[2,3-b]acridine-7,14-dione?
2,4,5,12-tetramethyl-9-[2-(trifluoromethyl)phenyl]quinolino[2,3-b]acridine-7,14-dione has a molecular weight of 512.53 g/mol, XLogP of 7.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,12-tetramethyl-9-[2-(trifluoromethyl)phenyl]quinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 138622461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).