4-bromanyl-N-[(Z)-(5,10,15,20-tetraphenyl-22H-porphyrin-2-ylidene)methyl]aniline

Systemtic Name: 4-bromanyl-N-[(Z)-(5,10,15,20-tetraphenyl-22H-porphyrin-2-ylidene)methyl]aniline Openeye Name: 4-bromo-N-[(Z)-(5,10,15,20-tetraphenyl-22H-porphyrin-2-ylidene)methyl]aniline CAS Name: 4-bromo-N-[(Z)-(5,10,15,20-tetraphenyl-22H-porphyrin-2-ylidene)methyl]aniline IUPAC Name: 4-bromo-N-[(Z)-(5,10,15,20-tetraphenyl-22H-porphyrin-2-ylidene)methyl]aniline Traditional Name: (4-bromophenyl)-[(Z)-(5,10,15,20-tetraphenyl-22H-porphin-2-ylidene)methyl]amine Formula: C51H34BrN5 MolecularWeight: 796.75316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=CNC5=CC=C(C=C5)Br)C(=N4)C(=C6C=CC(=N6)C(=C7C=CC2=N7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=C/C(=C/NC5=CC=C(C=C5)Br)/C(=N4)C(=C6C=CC(=N6)C(=C7C=CC2=N7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1)N3

InChI

InChI=1S/C51H34BrN5/c52-38-21-23-39(24-22-38)53-32-37-31-46-49(35-17-9-3-10-18-35)44-28-27-42(55-44)47(33-13-5-1-6-14-33)40-25-26-41(54-40)48(34-15-7-2-8-16-34)43-29-30-45(56-43)50(51(37)57-46)36-19-11-4-12-20-36/h1-32,53,55H/b37-32-,47-42?,48-41?,49-44?,50-45?