3-oxidanylidene-5,10,15,20-tetraphenyl-23,24-dihydro-22H-porphyrin-2-diazonium

Systemtic Name: 3-oxidanylidene-5,10,15,20-tetraphenyl-23,24-dihydro-22H-porphyrin-2-diazonium Openeye Name: 3-oxo-5,10,15,20-tetraphenyl-23,24-dihydro-22H-porphyrin-2-diazonium CAS Name: 3-oxo-5,10,15,20-tetraphenyl-23,24-dihydro-22H-porphyrin-2-diazonium IUPAC Name: 3-oxo-5,10,15,20-tetraphenyl-23,24-dihydro-22H-porphyrin-2-diazonium Traditional Name: 3-keto-5,10,15,20-tetraphenyl-23,24-dihydro-22H-porphine-2-diazonium Formula: C44H29N6O+ MolecularWeight: 657.74066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=C(C(=O)C(=N4)C(=C5C=CC(=C(C6=CC=C2N6)C7=CC=CC=C7)N5)C8=CC=CC=C8)[N+]#N)C9=CC=CC=C9)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=C(C(=O)C(=N4)C(=C5C=CC(=C(C6=CC=C2N6)C7=CC=CC=C7)N5)C8=CC=CC=C8)[N+]#N)C9=CC=CC=C9)N3

InChI

InChI=1S/C44H28N6O/c45-50-43-41-39(29-17-9-3-10-18-29)35-25-23-33(47-35)37(27-13-5-1-6-14-27)31-21-22-32(46-31)38(28-15-7-2-8-16-28)34-24-26-36(48-34)40(42(49-41)44(43)51)30-19-11-4-12-20-30/h1-26,45H,(H,46,47,48,49,51)/p+1