5-(4-ethynylphenyl)-15-hexyl-10,20-bis(3-methoxyphenyl)-21,22-dihydroporphyrin

Systemtic Name: 5-(4-ethynylphenyl)-15-hexyl-10,20-bis(3-methoxyphenyl)-21,22-dihydroporphyrin Openeye Name: 5-(4-ethynylphenyl)-15-hexyl-10,20-bis(3-methoxyphenyl)-21,22-dihydroporphyrin CAS Name: 5-(4-ethynylphenyl)-15-hexyl-10,20-bis(3-methoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 5-(4-ethynylphenyl)-15-hexyl-10,20-bis(3-methoxyphenyl)-21,22-dihydroporphyrin Traditional Name: 5-(4-ethynylphenyl)-15-hexyl-10,20-bis(3-methoxyphenyl)-21,22-dihydroporphine Formula: C48H42N4O2 MolecularWeight: 706.87268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C6=CC(=CC=C6)OC)C7=CC=C(C=C7)C#C)N3)C8=CC(=CC=C8)OC

Isomeric SMILES

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C6=CC(=CC=C6)OC)C7=CC=C(C=C7)C#C)N3)C8=CC(=CC=C8)OC

InChI

InChI=1S/C48H42N4O2/c1-5-7-8-9-16-37-38-21-23-42(49-38)47(33-12-10-14-35(29-33)53-3)44-27-25-40(51-44)46(32-19-17-31(6-2)18-20-32)41-26-28-45(52-41)48(43-24-22-39(37)50-43)34-13-11-15-36(30-34)54-4/h2,10-15,17-30,51-52H,5,7-9,16H2,1,3-4H3