10,15,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 10,15,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin Openeye Name: 10,15,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin CAS Name: 10,15,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin IUPAC Name: 10,15,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin Traditional Name: 10,15,20-trimesityl-21,22-dihydroporphine Formula: C47H44N4 MolecularWeight: 664.87906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)N3)C

InChI

InChI=1S/C47H44N4/c1-25-18-28(4)42(29(5)19-25)45-36-12-10-34(48-36)24-35-11-13-37(49-35)46(43-30(6)20-26(2)21-31(43)7)39-15-17-41(51-39)47(40-16-14-38(45)50-40)44-32(8)22-27(3)23-33(44)9/h10-24,48-49H,1-9H3