3,6-bis[(triphenylmethyl)amino]thioxanthen-9-one

Systemtic Name: 3,6-bis[(triphenylmethyl)amino]thioxanthen-9-one Openeye Name: 3,6-bis(tritylamino)thioxanthen-9-one CAS Name: 3,6-bis[(triphenylmethyl)amino]-9-thioxanthenone IUPAC Name: 3,6-bis(tritylamino)thioxanthen-9-one Traditional Name: 3,6-bis(tritylamino)thioxanthen-9-one Formula: C51H38N2OS MolecularWeight: 726.92522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=CC5=C(C=C4)C(=O)C6=C(S5)C=C(C=C6)NC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=CC5=C(C=C4)C(=O)C6=C(S5)C=C(C=C6)NC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C51H38N2OS/c54-49-45-33-31-43(52-50(37-19-7-1-8-20-37,38-21-9-2-10-22-38)39-23-11-3-12-24-39)35-47(45)55-48-36-44(32-34-46(48)49)53-51(40-25-13-4-14-26-40,41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-36,52-53H