[(S)-(-)-5,5'-BIS(DIPHENYLPHOSPHINO)-4,4'-BI-1,3-BENZODIOXOLE][4-CYANO-3-NITROBENZENECARBOXYLATO][1,2,3-ETA-2-PROPENYL]IRIDIUM(III)

CAS No.
1221768-92-8
CCD No.
CCD05427749
Formula
C38 H28 O4 P2 . C11 H7 Ir N2 O4
MolWeight
1033.99

Basic Information

Product Name: [(S)-(-)-5,5'-BIS(DIPHENYLPHOSPHINO)-4,4'-BI-1,3-BENZODIOXOLE][4-CYANO-3-NITROBENZENECARBOXYLATO][1,2,3-ETA-2-PROPENYL]IRIDIUM(III)
CAS: 1221768-92-8
English Synonyms: [(S)-(-)-5,5'-BIS(DIPHENYLPHOSPHINO)-4,4'-BI-1,3-BENZODIOXOLE][4-CYANO-3-NITROBENZENECARBOXYLATO][1,2,3-ETA-2-PROPENYL]IRIDIUM(III)
MDL Number.: MFCD20261164
H bond acceptor: 4
H bond donor: 0
Smile: C=C/C=[Ir]/OC(=O)c1ccc(c(c1)[N+](=O)[O-])C#N.c1ccc(cc1)P(c2ccccc2)c3ccc4c(c3c5c(ccc6c5OCO6)P(c7ccccc7)c8ccccc8)OCO4
InChi: InChI=1S/C38H28O4P2.C8H4N2O4.C3H4.Ir/c1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30;9-4-6-2-1-5(8(11)12)3-7(6)10(13)14;1-3-2;/h1-24H,25-26H2;1-3H,(H,11,12);1,3H,2H2;/q;;;+1/p-1
InChiKey: InChIKey=IKGDPFRLXHCVJP-UHFFFAOYSA-M

Property

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