5-tert-butyl-2-[10,15,20-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-21,22-dihydroporphyrin-5-yl]benzene-1,3-diamine

Systemtic Name: 5-tert-butyl-2-[10,15,20-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-21,22-dihydroporphyrin-5-yl]benzene-1,3-diamine Openeye Name: 5-tert-butyl-2-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin-5-yl]benzene-1,3-diamine CAS Name: 5-tert-butyl-2-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin-5-yl]benzene-1,3-diamine IUPAC Name: 5-tert-butyl-2-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin-5-yl]benzene-1,3-diamine Traditional Name: [3-amino-5-tert-butyl-2-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphin-5-yl]phenyl]amine Formula: C48H25F15N6 MolecularWeight: 970.728348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)N)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=C(C(=C(C(=C7F)F)F)F)F)C=C5)C8=C(C(=C(C(=C8F)F)F)F)F)C=C4)C9=C(C(=C(C(=C9F)F)F)F)F)N3)N

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)N)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=C(C(=C(C(=C7F)F)F)F)F)C=C5)C8=C(C(=C(C(=C8F)F)F)F)F)C=C4)C9=C(C(=C(C(=C9F)F)F)F)F)N3)N

InChI

InChI=1S/C48H25F15N6/c1-48(2,3)14-12-15(64)25(16(65)13-14)26-17-4-6-19(66-17)27(30-33(49)39(55)45(61)40(56)34(30)50)21-8-10-23(68-21)29(32-37(53)43(59)47(63)44(60)38(32)54)24-11-9-22(69-24)28(20-7-5-18(26)67-20)31-35(51)41(57)46(62)42(58)36(31)52/h4-13,66-67H,64-65H2,1-3H3