10-anthracen-9-yl-15,20-dihexyl-21,22-dihydroporphyrin

Systemtic Name: 10-anthracen-9-yl-15,20-dihexyl-21,22-dihydroporphyrin Openeye Name: 10-(9-anthryl)-15,20-dihexyl-21,22-dihydroporphyrin CAS Name: 10-(9-anthracenyl)-15,20-dihexyl-21,22-dihydroporphyrin IUPAC Name: 10-anthracen-9-yl-15,20-dihexyl-21,22-dihydroporphyrin Traditional Name: 10-(9-anthryl)-15,20-dihexyl-21,22-dihydroporphine Formula: C46H46N4 MolecularWeight: 654.88424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC1=N5)CCCCCC)N3)C6=C7C=CC=CC7=CC8=CC=CC=C86

Isomeric SMILES

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC1=N5)CCCCCC)N3)C6=C7C=CC=CC7=CC8=CC=CC=C86

InChI

InChI=1S/C46H46N4/c1-3-5-7-9-19-37-39-23-21-33(47-39)30-34-22-24-43(48-34)46(45-35-17-13-11-15-31(35)29-32-16-12-14-18-36(32)45)44-28-27-42(50-44)38(20-10-8-6-4-2)41-26-25-40(37)49-41/h11-18,21-30,47-48H,3-10,19-20H2,1-2H3