5-(4-hex-1-ynylphenyl)-10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 5-(4-hex-1-ynylphenyl)-10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin Openeye Name: 5-(4-hex-1-ynylphenyl)-10,15,20-tris(p-tolyl)-21,22-dihydroporphyrin CAS Name: 5-(4-hex-1-ynylphenyl)-10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin IUPAC Name: 5-(4-hex-1-ynylphenyl)-10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin Traditional Name: 5-(4-hex-1-ynylphenyl)-10,15,20-tris(p-tolyl)-21,22-dihydroporphine Formula: C53H44N4 MolecularWeight: 736.94326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=C(C=C7)C)C=C5)C8=CC=C(C=C8)C)C=C4)C9=CC=C(C=C9)C)N3

Isomeric SMILES

CCCCC#CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=C(C=C7)C)C=C5)C8=CC=C(C=C8)C)C=C4)C9=CC=C(C=C9)C)N3

InChI

InChI=1S/C53H44N4/c1-5-6-7-8-9-37-16-24-41(25-17-37)53-48-32-30-46(56-48)51(39-20-12-35(3)13-21-39)44-28-26-42(54-44)50(38-18-10-34(2)11-19-38)43-27-29-45(55-43)52(47-31-33-49(53)57-47)40-22-14-36(4)15-23-40/h10-33,56-57H,5-7H2,1-4H3