3-[2-[3,5-bis[2-(10-methylphenothiazin-3-yl)ethynyl]phenyl]ethynyl]-10-methyl-phenothiazine

Systemtic Name: 3-[2-[3,5-bis[2-(10-methylphenothiazin-3-yl)ethynyl]phenyl]ethynyl]-10-methyl-phenothiazine Openeye Name: 3-[2-[3,5-bis[2-(10-methylphenothiazin-3-yl)ethynyl]phenyl]ethynyl]-10-methyl-phenothiazine CAS Name: 3-[2-[3,5-bis[2-(10-methyl-3-phenothiazinyl)ethynyl]phenyl]ethynyl]-10-methylphenothiazine IUPAC Name: 3-[2-[3,5-bis[2-(10-methylphenothiazin-3-yl)ethynyl]phenyl]ethynyl]-10-methylphenothiazine Traditional Name: 3-[2-[3,5-bis[2-(10-methylphenothiazin-3-yl)ethynyl]phenyl]ethynyl]-10-methyl-phenothiazine Formula: C51H33N3S3 MolecularWeight: 784.02282

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C#CC3=CC(=CC(=C3)C#CC4=CC5=C(C=C4)N(C6=CC=CC=C6S5)C)C#CC7=CC8=C(C=C7)N(C9=CC=CC=C9S8)C)SC2=CC=CC=C21

Isomeric SMILES

CN1C2=C(C=C(C=C2)C#CC3=CC(=CC(=C3)C#CC4=CC5=C(C=C4)N(C6=CC=CC=C6S5)C)C#CC7=CC8=C(C=C7)N(C9=CC=CC=C9S8)C)SC2=CC=CC=C21

InChI

InChI=1S/C51H33N3S3/c1-52-40-10-4-7-13-46(40)55-49-31-34(22-25-43(49)52)16-19-37-28-38(20-17-35-23-26-44-50(32-35)56-47-14-8-5-11-41(47)53(44)2)30-39(29-37)21-18-36-24-27-45-51(33-36)57-48-15-9-6-12-42(48)54(45)3/h4-15,22-33H,1-3H3