15-[(E)-2-bromanylethenyl]-10,20-diphenyl-21,22-dihydroporphyrin

Systemtic Name: 15-[(E)-2-bromanylethenyl]-10,20-diphenyl-21,22-dihydroporphyrin Openeye Name: 15-[(E)-2-bromovinyl]-10,20-diphenyl-21,22-dihydroporphyrin CAS Name: 15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin IUPAC Name: 15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin Traditional Name: 15-[(E)-2-bromovinyl]-10,20-diphenyl-21,22-dihydroporphine Formula: C34H23BrN4 MolecularWeight: 567.47722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C=CBr)C7=CC=CC=C7)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)/C=C/Br)C7=CC=CC=C7)N3

InChI

InChI=1S/C34H23BrN4/c35-20-19-26-27-15-17-31(38-27)33(22-7-3-1-4-8-22)29-13-11-24(36-29)21-25-12-14-30(37-25)34(23-9-5-2-6-10-23)32-18-16-28(26)39-32/h1-21,36-37H/b20-19+,24-21?,25-21?,27-26?,28-26?,33-29?,33-31?,34-30?,34-32?