4-[10,15,20-tris(4-carbamimidoylphenyl)-21,24-dihydroporphyrin-5-yl]benzenecarboximidamide

Systemtic Name: 4-[10,15,20-tris(4-carbamimidoylphenyl)-21,24-dihydroporphyrin-5-yl]benzenecarboximidamide Openeye Name: 4-[10,15,20-tris(4-carbamimidoylphenyl)-21,24-dihydroporphyrin-5-yl]benzamidine CAS Name: 4-[10,15,20-tris(4-carbamimidoylphenyl)-21,24-dihydroporphyrin-5-yl]benzenecarboximidamide IUPAC Name: 4-[10,15,20-tris(4-carbamimidoylphenyl)-21,24-dihydroporphyrin-5-yl]benzenecarboximidamide Traditional Name: 4-[10,15,20-tris(4-amidinophenyl)-21,24-dihydroporphin-5-yl]benzamidine Formula: C48H38N12 MolecularWeight: 782.89572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=N)N)C8=CC=C(C=C8)C(=N)N)C9=CC=C(C=C9)C(=N)N)N3)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=N)N)C8=CC=C(C=C8)C(=N)N)C9=CC=C(C=C9)C(=N)N)N3)C(=N)N

InChI

InChI=1S/C48H38N12/c49-45(50)29-9-1-25(2-10-29)41-33-17-19-35(57-33)42(26-3-11-30(12-4-26)46(51)52)37-21-23-39(59-37)44(28-7-15-32(16-8-28)48(55)56)40-24-22-38(60-40)43(36-20-18-34(41)58-36)27-5-13-31(14-6-27)47(53)54/h1-24,57-58H,(H3,49,50)(H3,51,52)(H3,53,54)(H3,55,56)