2,7-bis(bromanyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin

Systemtic Name: 2,7-bis(bromanyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Openeye Name: 2,7-dibromo-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin CAS Name: 2,7-dibromo-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin IUPAC Name: 2,7-dibromo-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Traditional Name: 2,7-dibromo-5,10,15,20-tetraphenyl-21,22-dihydroporphine Formula: C44H28Br2N4 MolecularWeight: 772.52792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=C(C(=C(C5=CC(=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)Br)C8=CC=CC=C8)N4)Br)C9=CC=CC=C9

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=C(C(=C(C5=CC(=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)Br)C8=CC=CC=C8)N4)Br)C9=CC=CC=C9

InChI

InChI=1S/C44H28Br2N4/c45-31-25-37-40(28-15-7-2-8-16-28)35-22-21-33(47-35)39(27-13-5-1-6-14-27)34-23-24-36(48-34)41(29-17-9-3-10-18-29)43-32(46)26-38(50-43)42(44(31)49-37)30-19-11-4-12-20-30/h1-26,49-50H