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

Systemtic Name: 3,7-bis[(1E)-4,4-diphenylbuta-1,3-dienyl]-10-ethyl-phenothiazine Openeye Name: 3,7-bis[(1E)-4,4-diphenylbuta-1,3-dienyl]-10-ethyl-phenothiazine CAS Name: 3,7-bis[(1E)-4,4-diphenylbuta-1,3-dienyl]-10-ethylphenothiazine IUPAC Name: 3,7-bis[(1E)-4,4-diphenylbuta-1,3-dienyl]-10-ethylphenothiazine Traditional Name: 3,7-bis[(1E)-4,4-diphenylbuta-1,3-dienyl]-10-ethyl-phenothiazine Formula: C46H37NS MolecularWeight: 635.85768

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C=CC=C(C3=CC=CC=C3)C4=CC=CC=C4)SC5=C1C=CC(=C5)C=CC=C(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CCN1C2=C(SC3=C1C=CC(=C3)/C=C/C=C(C4=CC=CC=C4)C5=CC=CC=C5)C=C(C=C2)/C=C/C=C(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C46H37NS/c1-2-47-43-31-29-35(17-15-27-41(37-19-7-3-8-20-37)38-21-9-4-10-22-38)33-45(43)48-46-34-36(30-32-44(46)47)18-16-28-42(39-23-11-5-12-24-39)40-25-13-6-14-26-40/h3-34H,2H2,1H3/b17-15+,18-16+