ChemDiv1_021674
4,17-diamino-6,15-bis(4-fluorophenyl)-3,18-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),4,8,10,12,16-heptaene-5,16-dicarbonitrile
Also Known As: ChemDiv1_021674|Oprea1_063586|HMS648J04|2,11-diamino-4,9-bis(4-fluorophenyl)-4,9-dihydrobenzo[f]pyrano[3,2-h]chromene-3,10-dicarbonitrile|AM-807/12426050|SR-01000434841-1|2,11-diamino-4,9-di(4-fluorophenyl)-4,9-dihydrobenzo[f]pyrano[3,2-h]chromene-3,10-dicarbonitrile|4,17-diamino-6,15-bis(4-fluorophenyl)-3,18-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),4,8,10,12,16-heptaene-5,16-dicarbonitrile|2,11-DIAMINO-4,9-BIS(4-FLUOROPHENYL)-4,9-DIHYDRO-1,12-DIOXATRIPHENYLENE-3,10-DICARBONITRILE|2,11-diamino-4,9-bis(4-fluorophenyl)-4H,9H-benzo[f]pyrano[3,2-h]chromene-3,10- dicarbonitrile
| Molecular Formula | C30H18F2N4O2 |
|---|---|
| Molecular Weight | 504.13977 g/mol |
| LogP | 5.55436 |
| Topological Polar Surface Area | 118.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 504.13977 |
| Monoisotopic Mass | 504.13977 |
| Heavy Atoms | 38 |
| Complexity | 1647.2498 |
Chemical Identifiers
| CAS Number | 340809-05-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C4=C2C(C(=C(O4)N)C#N)C5=CC=C(C=C5)F)OC(=C(C3C6=CC=C(C=C6)F)C#N)N |
Product Overview
ChemDiv1_021674 (CAS 340809-05-4), with molecular formula C30H18F2N4O2 and molecular weight 504.13977 g/mol. IUPAC: 4,17-diamino-6,15-bis(4-fluorophenyl)-3,18-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),4,8,10,12,16-heptaene-5,16-dicarbonitrile.