3-bromanyl-10-hexyl-7-[10-hexyl-7-(10-hexylphenothiazin-3-yl)phenothiazin-3-yl]phenothiazine

Systemtic Name: 3-bromanyl-10-hexyl-7-[10-hexyl-7-(10-hexylphenothiazin-3-yl)phenothiazin-3-yl]phenothiazine Openeye Name: 3-bromo-10-hexyl-7-[10-hexyl-7-(10-hexylphenothiazin-3-yl)phenothiazin-3-yl]phenothiazine CAS Name: 3-bromo-10-hexyl-7-[10-hexyl-7-(10-hexyl-3-phenothiazinyl)-3-phenothiazinyl]phenothiazine IUPAC Name: 3-bromo-10-hexyl-7-[10-hexyl-7-(10-hexylphenothiazin-3-yl)phenothiazin-3-yl]phenothiazine Traditional Name: 3-bromo-10-hexyl-7-[10-hexyl-7-(10-hexylphenothiazin-3-yl)phenothiazin-3-yl]phenothiazine Formula: C54H58BrN3S3 MolecularWeight: 925.15742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=C(S4)C=C(C=C5)Br)CCCCCC)SC6=C1C=CC(=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C9S8)CCCCCC

Isomeric SMILES

CCCCCCN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=C(S4)C=C(C=C5)Br)CCCCCC)SC6=C1C=CC(=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C9S8)CCCCCC

InChI

InChI=1S/C54H58BrN3S3/c1-4-7-10-15-30-56-43-18-13-14-19-49(43)59-50-33-38(20-25-44(50)56)39-21-26-45-51(34-39)60-52-35-40(22-27-46(52)57(45)31-16-11-8-5-2)41-23-28-47-53(36-41)61-54-37-42(55)24-29-48(54)58(47)32-17-12-9-6-3/h13-14,18-29,33-37H,4-12,15-17,30-32H2,1-3H3