zinc 5,10-bis(4-ethynylphenyl)-15,20-bis(2,4,6-trimethylphenyl)porphyrin-23,24-diide

Systemtic Name: zinc 5,10-bis(4-ethynylphenyl)-15,20-bis(2,4,6-trimethylphenyl)porphyrin-23,24-diide Openeye Name: zinc 5,10-bis(4-ethynylphenyl)-15,20-bis(2,4,6-trimethylphenyl)porphyrin-23,24-diide CAS Name: zinc 5,10-bis(4-ethynylphenyl)-15,20-bis(2,4,6-trimethylphenyl)porphyrin-23,24-diide IUPAC Name: zinc 5,10-bis(4-ethynylphenyl)-15,20-bis(2,4,6-trimethylphenyl)porphyrin-23,24-diide Traditional Name: zinc 5,10-bis(4-ethynylphenyl)-15,20-dimesityl-porphine-23,24-diide Formula: C54H40N4Zn MolecularWeight: 810.3312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=C(C=C(C=C7C)C)C)C=C5)C8=CC=C(C=C8)C#C)C=C4)C9=CC=C(C=C9)C#C)[N-]3)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=C(C=C(C=C7C)C)C)C=C5)C8=CC=C(C=C8)C#C)C=C4)C9=CC=C(C=C9)C#C)[N-]3)C.[Zn+2]

InChI

InChI=1S/C54H40N4.Zn/c1-9-37-11-15-39(16-12-37)51-41-19-20-42(55-41)52(40-17-13-38(10-2)14-18-40)44-22-24-46(57-44)54(50-35(7)29-32(4)30-36(50)8)48-26-25-47(58-48)53(45-23-21-43(51)56-45)49-33(5)27-31(3)28-34(49)6;/h1-2,11-30H,3-8H3;/q-2;+2