3,7-bis[(1E)-4,4-diphenylbuta-1,3-dienyl]-10-(4-methylphenyl)phenothiazine

Systemtic Name: 3,7-bis[(1E)-4,4-diphenylbuta-1,3-dienyl]-10-(4-methylphenyl)phenothiazine Openeye Name: 3,7-bis[(1E)-4,4-diphenylbuta-1,3-dienyl]-10-(p-tolyl)phenothiazine CAS Name: 3,7-bis[(1E)-4,4-diphenylbuta-1,3-dienyl]-10-(4-methylphenyl)phenothiazine IUPAC Name: 3,7-bis[(1E)-4,4-diphenylbuta-1,3-dienyl]-10-(4-methylphenyl)phenothiazine Traditional Name: 3,7-bis[(1E)-4,4-diphenylbuta-1,3-dienyl]-10-(p-tolyl)phenothiazine Formula: C51H39NS MolecularWeight: 697.92706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=C(C=C3)C=CC=C(C4=CC=CC=C4)C5=CC=CC=C5)SC6=C2C=CC(=C6)C=CC=C(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(SC4=C2C=CC(=C4)/C=C/C=C(C5=CC=CC=C5)C6=CC=CC=C6)C=C(C=C3)/C=C/C=C(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C51H39NS/c1-38-28-32-45(33-29-38)52-48-34-30-39(16-14-26-46(41-18-6-2-7-19-41)42-20-8-3-9-21-42)36-50(48)53-51-37-40(31-35-49(51)52)17-15-27-47(43-22-10-4-11-23-43)44-24-12-5-13-25-44/h2-37H,1H3/b16-14+,17-15+