2-[(1E)-buta-1,3-dienyl]-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin

Systemtic Name: 2-[(1E)-buta-1,3-dienyl]-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Openeye Name: 2-[(1E)-buta-1,3-dienyl]-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin CAS Name: 2-[(1E)-buta-1,3-dienyl]-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin IUPAC Name: 2-[(1E)-buta-1,3-dienyl]-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Traditional Name: 2-[(1E)-buta-1,3-dienyl]-5,10,15,20-tetraphenyl-21,22-dihydroporphine Formula: C48H34N4 MolecularWeight: 666.81036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC=CC1=C2C(=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C(=C1)N2)C6=CC=CC=C6)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

C=C/C=C/C1=C2C(=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C(=C1)N2)C6=CC=CC=C6)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C48H34N4/c1-2-3-16-36-31-43-46(34-21-12-6-13-22-34)41-28-27-39(50-41)44(32-17-8-4-9-18-32)37-25-26-38(49-37)45(33-19-10-5-11-20-33)40-29-30-42(51-40)47(48(36)52-43)35-23-14-7-15-24-35/h2-31,50,52H,1H2/b16-3+,44-37?,44-39?,45-38?,45-40?,46-41?,46-43?,47-42?,48-47?