4-[3,6,7,10,11-pentakis(pyridin-4-ylsulfanyl)triphenylen-2-yl]sulfanylpyridine

Systemtic Name: 4-[3,6,7,10,11-pentakis(pyridin-4-ylsulfanyl)triphenylen-2-yl]sulfanylpyridine Openeye Name: 4-[3,6,7,10,11-pentakis(4-pyridylsulfanyl)triphenylen-2-yl]sulfanylpyridine CAS Name: 4-[[3,6,7,10,11-pentakis(pyridin-4-ylthio)-2-triphenylenyl]thio]pyridine IUPAC Name: 4-[3,6,7,10,11-pentakis(pyridin-4-ylsulfanyl)triphenylen-2-yl]sulfanylpyridine Traditional Name: 4-[[3,6,7,10,11-pentakis(4-pyridylthio)triphenylen-2-yl]thio]pyridine Formula: C48H30N6S6 MolecularWeight: 883.182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1SC2=C(C=C3C(=C2)C4=CC(=C(C=C4C5=CC(=C(C=C35)SC6=CC=NC=C6)SC7=CC=NC=C7)SC8=CC=NC=C8)SC9=CC=NC=C9)SC1=CC=NC=C1

Isomeric SMILES

C1=CN=CC=C1SC2=C(C=C3C(=C2)C4=CC(=C(C=C4C5=CC(=C(C=C35)SC6=CC=NC=C6)SC7=CC=NC=C7)SC8=CC=NC=C8)SC9=CC=NC=C9)SC1=CC=NC=C1

InChI

InChI=1S/C48H30N6S6/c1-13-49-14-2-31(1)55-43-25-37-38(26-44(43)56-32-3-15-50-16-4-32)40-28-46(58-34-7-19-52-20-8-34)48(60-36-11-23-54-24-12-36)30-42(40)41-29-47(59-35-9-21-53-22-10-35)45(27-39(37)41)57-33-5-17-51-18-6-33/h1-30H