(E)-3-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)prop-2-enal

Systemtic Name: (E)-3-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)prop-2-enal Openeye Name: (E)-3-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)prop-2-enal CAS Name: (E)-3-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)-2-propenal IUPAC Name: (E)-3-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)prop-2-enal Traditional Name: (E)-3-(5,10,15,20-tetraphenyl-21,22-dihydroporphin-2-yl)acrolein Formula: C47H32N4O MolecularWeight: 668.78318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=CC=O)C9=CC=CC=C9)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)/C=C/C=O)C9=CC=CC=C9)N3

InChI

InChI=1S/C47H32N4O/c52-29-13-22-35-30-42-45(33-18-9-3-10-19-33)40-26-25-38(49-40)43(31-14-5-1-6-15-31)36-23-24-37(48-36)44(32-16-7-2-8-17-32)39-27-28-41(50-39)46(47(35)51-42)34-20-11-4-12-21-34/h1-30,49,51H/b22-13+,43-36?,43-38?,44-37?,44-39?,45-40?,45-42?,46-41?,47-46?