5,12-dimethyl-2,9-bis(1,2,2-trifluoroethenyl)quinolino[2,3-b]acridine-7,14-dione

C26H14F6N2O2 — CID 89419129

IUPAC5,12-dimethyl-2,9-bis(1,2,2-trifluoroethenyl)quinolino[2,3-b]acridine-7,14-dione
SMILESCn1c2ccc(C(F)=C(F)F)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(C(F)=C(F)F)ccc1n3C
InChIInChI=1S/C26H14F6N2O2/c1-33-17-5-3-11(21(27)25(29)30)7-13(17)23(35)15-10-20-16(9-19(15)33)24(36)14-8-12(22(28)26(31)32)4-6-18(14)34(20)2/h3-10H,1-2H3
InChIKeyNWFVZECSSKGTHF-UHFFFAOYSA-N
MW500.40 g/mol
LogP6.77
Rot. Bonds2

About 5,12-dimethyl-2,9-bis(1,2,2-trifluoroethenyl)quinolino[2,3-b]acridine-7,14-dione

5,12-dimethyl-2,9-bis(1,2,2-trifluoroethenyl)quinolino[2,3-b]acridine-7,14-dione (PubChem CID 89419129) has the molecular formula C26H14F6N2O2 and a molecular weight of 500.40 g/mol. Its IUPAC name is 5,12-dimethyl-2,9-bis(1,2,2-trifluoroethenyl)quinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name5,12-dimethyl-2,9-bis(1,2,2-trifluoroethenyl)quinolino[2,3-b]acridine-7,14-dione
PubChem CID89419129
Molecular FormulaC26H14F6N2O2
Molecular Weight500.40 g/mol
Exact Mass500.10
IUPAC Name5,12-dimethyl-2,9-bis(1,2,2-trifluoroethenyl)quinolino[2,3-b]acridine-7,14-dione
SMILESCn1c2ccc(C(F)=C(F)F)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(C(F)=C(F)F)ccc1n3C
InChIInChI=1S/C26H14F6N2O2/c1-33-17-5-3-11(21(27)25(29)30)7-13(17)23(35)15-10-20-16(9-19(15)33)24(36)14-8-12(22(28)26(31)32)4-6-18(14)34(20)2/h3-10H,1-2H3
InChIKeyNWFVZECSSKGTHF-UHFFFAOYSA-N
XLogP6.77
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.40
LogP ≤ 56.77
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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Frequently Asked Questions

What is the IUPAC name of 5,12-dimethyl-2,9-bis(1,2,2-trifluoroethenyl)quinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 5,12-dimethyl-2,9-bis(1,2,2-trifluoroethenyl)quinolino[2,3-b]acridine-7,14-dione (CID 89419129) is 5,12-dimethyl-2,9-bis(1,2,2-trifluoroethenyl)quinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 5,12-dimethyl-2,9-bis(1,2,2-trifluoroethenyl)quinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 5,12-dimethyl-2,9-bis(1,2,2-trifluoroethenyl)quinolino[2,3-b]acridine-7,14-dione is Cn1c2ccc(C(F)=C(F)F)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(C(F)=C(F)F)ccc1n3C.
What is the InChIKey of 5,12-dimethyl-2,9-bis(1,2,2-trifluoroethenyl)quinolino[2,3-b]acridine-7,14-dione?
The InChIKey is NWFVZECSSKGTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F6N2O2/c1-33-17-5-3-11(21(27)25(29)30)7-13(17)23(35)15-10-20-16(9-19(15)33)24(36)14-8-12(22(28)26(31)32)4-6-18(14)34(20)2/h3-10H,1-2H3.
What are the key properties of 5,12-dimethyl-2,9-bis(1,2,2-trifluoroethenyl)quinolino[2,3-b]acridine-7,14-dione?
5,12-dimethyl-2,9-bis(1,2,2-trifluoroethenyl)quinolino[2,3-b]acridine-7,14-dione has a molecular weight of 500.40 g/mol, XLogP of 6.77, 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(1,2,2-trifluoroethenyl)quinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 89419129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).