7,8,17,18-tetraethyl-2,3,12,13-tetraphenyl-21,23-dihydroporphyrin

Systemtic Name: 7,8,17,18-tetraethyl-2,3,12,13-tetraphenyl-21,23-dihydroporphyrin Openeye Name: 7,8,17,18-tetraethyl-2,3,12,13-tetraphenyl-21,23-dihydroporphyrin CAS Name: 7,8,17,18-tetraethyl-2,3,12,13-tetraphenyl-21,23-dihydroporphyrin IUPAC Name: 7,8,17,18-tetraethyl-2,3,12,13-tetraphenyl-21,23-dihydroporphyrin Traditional Name: 7,8,17,18-tetraethyl-2,3,12,13-tetraphenyl-21,23-dihydroporphine Formula: C52H46N4 MolecularWeight: 726.94844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC1=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=C2)N5)C6=CC=CC=C6)C7=CC=CC=C7)CC)CC)C8=CC=CC=C8)C9=CC=CC=C9)CC

Isomeric SMILES

CCC1=C(C2=NC1=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=C2)N5)C6=CC=CC=C6)C7=CC=CC=C7)CC)CC)C8=CC=CC=C8)C9=CC=CC=C9)CC

InChI

InChI=1S/C52H46N4/c1-5-37-38(6-2)42-30-46-50(34-23-15-10-16-24-34)52(36-27-19-12-20-28-36)48(56-46)32-44-40(8-4)39(7-3)43(54-44)31-47-51(35-25-17-11-18-26-35)49(33-21-13-9-14-22-33)45(55-47)29-41(37)53-42/h9-32,55-56H,5-8H2,1-4H3