5,15-bis(4-ethynylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 5,15-bis(4-ethynylphenyl)-21,22-dihydroporphyrin Openeye Name: 5,15-bis(4-ethynylphenyl)-21,22-dihydroporphyrin CAS Name: 5,15-bis(4-ethynylphenyl)-21,22-dihydroporphyrin IUPAC Name: 5,15-bis(4-ethynylphenyl)-21,22-dihydroporphyrin Traditional Name: 5,15-bis(4-ethynylphenyl)-21,22-dihydroporphine Formula: C36H22N4 MolecularWeight: 510.58668

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=CC=C(C=C7)C#C)C=C4)N3

Isomeric SMILES

C#CC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=CC=C(C=C7)C#C)C=C4)N3

InChI

InChI=1S/C36H22N4/c1-3-23-5-9-25(10-6-23)35-31-17-13-27(37-31)21-29-15-19-33(39-29)36(26-11-7-24(4-2)8-12-26)34-20-16-30(40-34)22-28-14-18-32(35)38-28/h1-2,5-22,37-38H