zinc 5-[4,6-bis(chloranyl)pyrimidin-5-yl]-15-(4-phenylmethoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diide

Systemtic Name: zinc 5-[4,6-bis(chloranyl)pyrimidin-5-yl]-15-(4-phenylmethoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diide Openeye Name: zinc 5-(4-benzyloxyphenyl)-15-(4,6-dichloropyrimidin-5-yl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-23,24-diide CAS Name: zinc 5-(4,6-dichloro-5-pyrimidinyl)-15-(4-phenylmethoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diide IUPAC Name: zinc 5-(4,6-dichloropyrimidin-5-yl)-15-(4-phenylmethoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diide Traditional Name: zinc 5-(4-benzoxyphenyl)-15-(4,6-dichloropyrimidin-5-yl)-10,20-dimesityl-porphine-23,24-diide Formula: C55H42Cl2N6OZn MolecularWeight: 939.27658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OCC8=CC=CC=C8)C9=C(C=C(C=C9C)C)C)C1=C(N=CN=C1Cl)Cl)[N-]3)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OCC8=CC=CC=C8)C9=C(C=C(C=C9C)C)C)C1=C(N=CN=C1Cl)Cl)[N-]3)C.[Zn+2]

InChI

InChI=1S/C55H42Cl2N6O.Zn/c1-30-24-32(3)47(33(4)25-30)50-41-18-16-39(60-41)49(37-12-14-38(15-13-37)64-28-36-10-8-7-9-11-36)40-17-19-42(61-40)51(48-34(5)26-31(2)27-35(48)6)44-21-23-46(63-44)52(45-22-20-43(50)62-45)53-54(56)58-29-59-55(53)57;/h7-27,29H,28H2,1-6H3;/q-2;+2