5,10,15,20-tetraphenyl-2,7-bis(2-phenylethynyl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetraphenyl-2,7-bis(2-phenylethynyl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetraphenyl-2,7-bis(2-phenylethynyl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetraphenyl-2,7-bis(2-phenylethynyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetraphenyl-2,7-bis(2-phenylethynyl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetraphenyl-2,7-bis(2-phenylethynyl)-21,22-dihydroporphine Formula: C60H38N4 MolecularWeight: 814.97052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC3=C(C4=C(C=C(N4)C(=C5C=CC(=N5)C(=C6C=CC(=N6)C(=C2N3)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C#CC1=CC=CC=C1)C1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC3=C(C4=C(C=C(N4)C(=C5C=CC(=N5)C(=C6C=CC(=N6)C(=C2N3)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C#CC1=CC=CC=C1)C1=CC=CC=C1

InChI

InChI=1S/C60H38N4/c1-7-19-41(20-8-1)31-33-47-39-53-56(44-25-13-4-14-26-44)51-36-35-49(61-51)55(43-23-11-3-12-24-43)50-37-38-52(62-50)57(45-27-15-5-16-28-45)59-48(34-32-42-21-9-2-10-22-42)40-54(64-59)58(60(47)63-53)46-29-17-6-18-30-46/h1-30,35-40,63-64H