15-bromanyl-10,20-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin-5-carbaldehyde

Systemtic Name: 15-bromanyl-10,20-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin-5-carbaldehyde Openeye Name: 15-bromo-10,20-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin-5-carbaldehyde CAS Name: 15-bromo-10,20-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin-5-carboxaldehyde IUPAC Name: 15-bromo-10,20-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin-5-carbaldehyde Traditional Name: 15-bromo-10,20-dimesityl-21,22-dihydroporphine-5-carbaldehyde Formula: C39H33BrN4O MolecularWeight: 653.60952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)Br)C7=C(C=C(C=C7C)C)C)C=O)N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)Br)C7=C(C=C(C=C7C)C)C)C=O)N3)C

InChI

InChI=1S/C39H33BrN4O/c1-20-15-22(3)35(23(4)16-20)37-29-9-7-27(41-29)26(19-45)28-8-10-30(42-28)38(36-24(5)17-21(2)18-25(36)6)32-12-14-34(44-32)39(40)33-13-11-31(37)43-33/h7-19,41-42H,1-6H3