15-[(E)-2-anthracen-9-ylethenyl]-10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 15-[(E)-2-anthracen-9-ylethenyl]-10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin Openeye Name: 15-[(E)-2-(9-anthryl)vinyl]-10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin CAS Name: 15-[(E)-2-(9-anthracenyl)ethenyl]-10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin IUPAC Name: 15-[(E)-2-anthracen-9-ylethenyl]-10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin Traditional Name: 15-[(E)-2-(9-anthryl)vinyl]-10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphine Formula: C64H64N4 MolecularWeight: 889.21976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C=CC7=C8C=CC=CC8=CC9=CC=CC=C97)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)N3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)/C=C/C7=C8C=CC=CC8=CC9=CC=CC=C97)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)N3)C(C)(C)C

InChI

InChI=1S/C64H64N4/c1-61(2,3)43-32-41(33-44(36-43)62(4,5)6)59-55-25-21-47(65-55)38-48-22-26-56(66-48)60(42-34-45(63(7,8)9)37-46(35-42)64(10,11)12)58-30-28-54(68-58)52(53-27-29-57(59)67-53)24-23-51-49-19-15-13-17-39(49)31-40-18-14-16-20-50(40)51/h13-38,65-66H,1-12H3/b24-23+,47-38?,48-38?,53-52?,54-52?,59-55?,59-57?,60-56?,60-58?