zinc 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-15-[4-[2-(4-ethynylphenyl)ethynyl]phenyl]-3,7,13,17-tetramethyl-porphyrin-22,24-diide

Systemtic Name: zinc 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-15-[4-[2-(4-ethynylphenyl)ethynyl]phenyl]-3,7,13,17-tetramethyl-porphyrin-22,24-diide Openeye Name: zinc 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-15-[4-[2-(4-ethynylphenyl)ethynyl]phenyl]-3,7,13,17-tetramethyl-porphyrin-22,24-diide CAS Name: zinc 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-15-[4-[2-(4-ethynylphenyl)ethynyl]phenyl]-3,7,13,17-tetramethylporphyrin-22,24-diide IUPAC Name: zinc 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-15-[4-[2-(4-ethynylphenyl)ethynyl]phenyl]-3,7,13,17-tetramethylporphyrin-22,24-diide Traditional Name: zinc 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-15-[4-[2-(4-ethynylphenyl)ethynyl]phenyl]-3,7,13,17-tetramethyl-porphine-22,24-diide Formula: C62H64N4Zn MolecularWeight: 930.60736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C3=NC(=CC4=C(C(=C([N-]4)C(=C5C(=C(C(=N5)C=C1[N-]2)CC)C)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C)CC)C(=C3C)CC)C7=CC=C(C=C7)C#CC8=CC=C(C=C8)C#C)C.[Zn+2]

Isomeric SMILES

CCC1=C(C2=C(C3=NC(=CC4=C(C(=C([N-]4)C(=C5C(=C(C(=N5)C=C1[N-]2)CC)C)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C)CC)C(=C3C)CC)C7=CC=C(C=C7)C#CC8=CC=C(C=C8)C#C)C.[Zn+2]

InChI

InChI=1S/C62H64N4.Zn/c1-16-40-21-23-41(24-22-40)25-26-42-27-29-43(30-28-42)55-57-36(6)47(17-2)51(63-57)34-53-49(19-4)38(8)59(65-53)56(44-31-45(61(10,11)12)33-46(32-44)62(13,14)15)60-39(9)50(20-5)54(66-60)35-52-48(18-3)37(7)58(55)64-52;/h1,21-24,27-35H,17-20H2,2-15H3;/q-2;+2