zinc; tetrakis[2,3,4,5,6-pentakis(fluoranyl)phenyl]boranuide; 2,17,18,20-tetraphenyl-21,22-dihydroporphyrin

Systemtic Name: zinc; tetrakis[2,3,4,5,6-pentakis(fluoranyl)phenyl]boranuide; 2,17,18,20-tetraphenyl-21,22-dihydroporphyrin Openeye Name: zinc; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide; 2,17,18,20-tetraphenyl-21,22-dihydroporphyrin CAS Name: zinc; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide; 2,17,18,20-tetraphenyl-21,22-dihydroporphyrin IUPAC Name: zinc; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide; 2,17,18,20-tetraphenyl-21,22-dihydroporphyrin Traditional Name: zinc; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide; 2,17,18,20-tetraphenyl-21,22-dihydroporphine Formula: C68H30BF20N4Zn+ MolecularWeight: 1359.180664

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.C1=CC=C(C=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9.[Zn+2]

Isomeric SMILES

[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.C1=CC=C(C=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9.[Zn+2]

InChI

InChI=1S/C44H30N4.C24BF20.Zn/c1-5-13-29(14-6-1)38-27-37-26-35-22-21-33(45-35)25-34-23-24-36(46-34)28-39-40(30-15-7-2-8-16-30)41(31-17-9-3-10-18-31)44(48-39)42(43(38)47-37)32-19-11-4-12-20-32;26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;/h1-28,45,47H;;/q;-1;+2