(6E)-6-[(5Z,9Z,15Z,19Z)-3-deuterio-5,10,15,20-tetraphenyl-23,24-dihydro-22H-porphyrin-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[(5Z,9Z,15Z,19Z)-3-deuterio-5,10,15,20-tetraphenyl-23,24-dihydro-22H-porphyrin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[(5Z,9Z,15Z,19Z)-3-deuterio-5,10,15,20-tetraphenyl-23,24-dihydro-22H-porphyrin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[(5Z,9Z,15Z,19Z)-3-deuterio-5,10,15,20-tetraphenyl-23,24-dihydro-22H-porphyrin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[(5Z,9Z,15Z,19Z)-3-deuterio-5,10,15,20-tetraphenyl-23,24-dihydro-22H-porphyrin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[(5Z,9Z,15Z,19Z)-3-deuterio-5,10,15,20-tetraphenyl-23,24-dihydro-22H-porphin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C50H34N4O MolecularWeight: 707.837322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=C5C=CC=CC5=O)C(=N4)C(=C6C=CC(=C(C7=CC=C2N7)C8=CC=CC=C8)N6)C9=CC=CC=C9)C1=CC=CC=C1)N3

Isomeric SMILES

[2H]C\1=C2/C(=C\3/C=C/C(=C(/C4=CC=C(N4)/C(=C\5/C=C/C(=C(/C(=N2)/C1=C/6\C=CC=CC6=O)\C7=CC=CC=C7)/N5)/C8=CC=CC=C8)\C9=CC=CC=C9)/N3)/C1=CC=CC=C1

InChI

InChI=1S/C50H34N4O/c55-45-24-14-13-23-36(45)37-31-44-48(34-19-9-3-10-20-34)42-28-27-40(52-42)46(32-15-5-1-6-16-32)38-25-26-39(51-38)47(33-17-7-2-8-18-33)41-29-30-43(53-41)49(50(37)54-44)35-21-11-4-12-22-35/h1-31,51-53H/b37-36+,46-40-,47-41-,48-42-,49-43-/i31D