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CAS No.: | 435293-93-9 |
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Name: | Ir(piq)3, Tris[1-phenylisoquinolinato-C2,N]iridium(III) |
Molecular Structure: | |
Formula: | C45H30IrN3 |
Molecular Weight: | 804.96 |
Synonyms: | Tris(1-phenylisoquinoline)iridium; |
Melting Point: | 454 °C |
PSA: | 38.67000 |
LogP: | 11.10600 |
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This chemical is called Tris[1-phenylisoquinoline-C2,N]iridium(III), and its systematic name is tris[2-(isoquinolin-1-yl-kappaN)phenyl-kappaC1]iridium. With the molecular formula of C45H30IrN3, its molecular weight is 804.96. In addition, the CAS registry number of this chemical is 435293-93-9.
Other characteristics of the Tris[1-phenylisoquinoline-C2,N]iridium(III) can be summarised as followings: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)Melting Point: 454 °C; (4)#Freely Rotating Bonds: 0; (5)Polar Surface Area: 11.64 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc%12c1[Ir-3]95(c2ccccc2c4[n+]5ccc3ccccc34)([n+]7ccc6ccccc6c7c8ccccc89)[n+]%11ccc%10ccccc%10c%11%12
(2)InChI: InChI=1/3C15H10N.Ir/c3*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h3*1-7,9-11H;/rC45H30IrN3/c1-4-16-34-31(13-1)25-28-47-43(34)37-19-7-10-22-40(37)46(47,41-23-11-8-20-38(41)44-35-17-5-2-14-32(35)26-29-48(44)46)42-24-12-9-21-39(42)45-36-18-6-3-15-33(36)27-30-49(45)46/h1-30H