CID 2807484

HCID 2807484

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Basic information

CAS: 675854-24-7
Standard SMILES: N#CC1=C(N)Oc2c3c(c4ccccc4c2C1c1ccc(C(F)(F)F)cc1)C(c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O3
InChIKey: LUSGDTGIJXKHQM-UHFFFAOYSA-N
Molecular formula: C32H18F6N4O2
Average molar mass: 604.5 g/mol
Monoisotopic mass: 604.1333948

Names & identifiers

Preferred name: CID 2807484
IUPAC: 4,17-diamino-6,15-bis[4-(trifluoromethyl)phenyl]-3,18-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),4,8,10,12,16-heptaene-5,16-dicarbonitrile

Names & synonyms

LUSGDTGIJXKHQM-UHFFFAOYSA-NCHEMBL3733278SCHEMBL15965534DTXSID601108396675854-24-74,17-Diamino-6,15-bis[4-(trifluoromethyl)phenyl]-3,18-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),4,8,10,12,16-heptaene-5,16-dicarbonitrileNaphtho[2,1-b:3,4-ba(2)]dipyran-3,10-dicarbonitrile, 2,11-diamino-4,9-dihydro-4,9-bis[4-(trifluoromethyl)phenyl]-

Database identifiers

CAS: 675854-24-7
PubChem CID: 2807484
DTXSID: DTXSID601108396
ChEMBL: CHEMBL3733278

Properties

Computed structural properties

XLogP: 7.7
Topological polar surface area: 118 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 12
Rotatable bonds: 2
Heavy atoms: 44
Formal charge: 0
Complexity: 1,180

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