5-[4-chloranyl-1-deuterio-1,2,2,3,3,4,4-heptakis(fluoranyl)butyl]-15-[4-chloranyl-1,1,2,2,3,3,4,4-octakis(fluoranyl)butyl]-10,20-diphenyl-21,22-dihydroporphyrin

Systemtic Name: 5-[4-chloranyl-1-deuterio-1,2,2,3,3,4,4-heptakis(fluoranyl)butyl]-15-[4-chloranyl-1,1,2,2,3,3,4,4-octakis(fluoranyl)butyl]-10,20-diphenyl-21,22-dihydroporphyrin Openeye Name: 5-(4-chloro-1-deuterio-1,2,2,3,3,4,4-heptafluoro-butyl)-15-(4-chloro-1,1,2,2,3,3,4,4-octafluoro-butyl)-10,20-diphenyl-21,22-dihydroporphyrin CAS Name: 5-(4-chloro-1-deuterio-1,2,2,3,3,4,4-heptafluorobutyl)-15-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-10,20-diphenyl-21,22-dihydroporphyrin IUPAC Name: 5-(4-chloro-1-deuterio-1,2,2,3,3,4,4-heptafluorobutyl)-15-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-10,20-diphenyl-21,22-dihydroporphyrin Traditional Name: 5-(4-chloro-1-deuterio-1,2,2,3,3,4,4-heptafluoro-butyl)-15-(4-chloro-1,1,2,2,3,3,4,4-octafluoro-butyl)-10,20-diphenyl-21,22-dihydroporphine Formula: C40H21Cl2F15N4 MolecularWeight: 914.50975

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)C7=CC=CC=C7)C(C(C(C(F)(F)Cl)(F)F)(F)F)F)N3

Isomeric SMILES

[2H]C(C1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C6=CC=CC=C6)C=C4)C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)C=C3)C7=CC=CC=C7)N2)(C(C(C(F)(F)Cl)(F)F)(F)F)F

InChI

InChI=1S/C40H21Cl2F15N4/c41-39(54,55)37(50,51)35(46,47)33(43)31-25-13-11-21(58-25)29(19-7-3-1-4-8-19)23-15-17-27(60-23)32(34(44,45)36(48,49)38(52,53)40(42,56)57)28-18-16-24(61-28)30(20-9-5-2-6-10-20)22-12-14-26(31)59-22/h1-18,33,58-59H/i33D