10-(2,6-ditert-butyl-10-phenothiazin-10-yl-anthracen-9-yl)-3-phenothiazin-10-yl-phenothiazine

Systemtic Name: 10-(2,6-ditert-butyl-10-phenothiazin-10-yl-anthracen-9-yl)-3-phenothiazin-10-yl-phenothiazine Openeye Name: 10-(2,6-ditert-butyl-10-phenothiazin-10-yl-9-anthryl)-3-phenothiazin-10-yl-phenothiazine CAS Name: 10-[2,6-ditert-butyl-10-(10-phenothiazinyl)-9-anthracenyl]-3-(10-phenothiazinyl)phenothiazine IUPAC Name: 10-(2,6-ditert-butyl-10-phenothiazin-10-ylanthracen-9-yl)-3-phenothiazin-10-ylphenothiazine Traditional Name: 10-(2,6-ditert-butyl-10-phenothiazin-10-yl-9-anthryl)-3-phenothiazin-10-yl-phenothiazine Formula: C58H47N3S3 MolecularWeight: 882.20888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)C(=C3C=C(C=CC3=C2N4C5=C(C=C(C=C5)N6C7=CC=CC=C7SC8=CC=CC=C86)SC9=CC=CC=C94)C(C)(C)C)N1C2=CC=CC=C2SC2=CC=CC=C21

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)C(=C3C=C(C=CC3=C2N4C5=C(C=C(C=C5)N6C7=CC=CC=C7SC8=CC=CC=C86)SC9=CC=CC=C94)C(C)(C)C)N1C2=CC=CC=C2SC2=CC=CC=C21

InChI

InChI=1S/C58H47N3S3/c1-57(2,3)36-28-31-40-41(33-36)55(60-45-19-9-14-24-51(45)63-52-25-15-10-20-46(52)60)39-30-27-37(58(4,5)6)34-42(39)56(40)61-47-21-11-16-26-53(47)64-54-35-38(29-32-48(54)61)59-43-17-7-12-22-49(43)62-50-23-13-8-18-44(50)59/h7-35H,1-6H3