8-[10,15,20-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-21,22-dihydroporphyrin-5-yl]biphenylene-1-carbaldehyde

Systemtic Name: 8-[10,15,20-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-21,22-dihydroporphyrin-5-yl]biphenylene-1-carbaldehyde Openeye Name: 8-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin-5-yl]biphenylene-1-carbaldehyde CAS Name: 8-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin-5-yl]-1-biphenylenecarboxaldehyde IUPAC Name: 8-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin-5-yl]biphenylene-1-carbaldehyde Traditional Name: 8-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphin-5-yl]biphenylene-1-carbaldehyde Formula: C51H17F15N4O MolecularWeight: 986.682928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C=CC=C(C3=C2C(=C1)C=O)C4=C5C=CC(=C(C6=NC(=C(C7=NC(=C(C8=CC=C4N8)C9=C(C(=C(C(=C9F)F)F)F)F)C=C7)C1=C(C(=C(C(=C1F)F)F)F)F)C=C6)C1=C(C(=C(C(=C1F)F)F)F)F)N5

Isomeric SMILES

C1=CC2=C3C=CC=C(C3=C2C(=C1)C=O)C4=C5C=CC(=C(C6=NC(=C(C7=NC(=C(C8=CC=C4N8)C9=C(C(=C(C(=C9F)F)F)F)F)C=C7)C1=C(C(=C(C(=C1F)F)F)F)F)C=C6)C1=C(C(=C(C(=C1F)F)F)F)F)N5

InChI

InChI=1S/C51H17F15N4O/c52-37-34(38(53)44(59)49(64)43(37)58)31-22-9-7-20(67-22)30(19-6-2-5-18-17-4-1-3-16(15-71)28(17)29(18)19)21-8-10-23(68-21)32(35-39(54)45(60)50(65)46(61)40(35)55)25-12-14-27(70-25)33(26-13-11-24(31)69-26)36-41(56)47(62)51(66)48(63)42(36)57/h1-15,67-68H