4-[2-[4-[15-(4-iodophenyl)-10,20-bis(2,4,6-trimethylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]benzene-1,2-dicarbonitrile

Systemtic Name: 4-[2-[4-[15-(4-iodophenyl)-10,20-bis(2,4,6-trimethylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]benzene-1,2-dicarbonitrile Openeye Name: 4-[2-[4-[15-(4-iodophenyl)-10,20-bis(2,4,6-trimethylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]phthalonitrile CAS Name: 4-[2-[4-[15-(4-iodophenyl)-10,20-bis(2,4,6-trimethylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]benzene-1,2-dicarbonitrile IUPAC Name: 4-[2-[4-[15-(4-iodophenyl)-10,20-bis(2,4,6-trimethylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]benzene-1,2-dicarbonitrile Traditional Name: 4-[2-[4-[15-(4-iodophenyl)-10,20-dimesityl-23,24-dihydroporphin-5-yl]phenyl]ethynyl]phthalonitrile Formula: C60H43IN6 MolecularWeight: 974.92809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C#CC8=CC(=C(C=C8)C#N)C#N)C9=C(C=C(C=C9C)C)C)C1=CC=C(C=C1)I)N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C#CC8=CC(=C(C=C8)C#N)C#N)C9=C(C=C(C=C9C)C)C)C1=CC=C(C=C1)I)N3)C

InChI

InChI=1S/C60H43IN6/c1-34-27-36(3)55(37(4)28-34)59-51-23-19-47(64-51)57(42-12-9-40(10-13-42)7-8-41-11-14-44(32-62)45(31-41)33-63)48-20-24-52(65-48)60(56-38(5)29-35(2)30-39(56)6)54-26-22-50(67-54)58(49-21-25-53(59)66-49)43-15-17-46(61)18-16-43/h9-31,66-67H,1-6H3