3-anthracen-1-yl-2-[3,5-bis(3-anthracen-1-ylthiophen-2-yl)phenyl]thiophene

Systemtic Name: 3-anthracen-1-yl-2-[3,5-bis(3-anthracen-1-ylthiophen-2-yl)phenyl]thiophene Openeye Name: 3-(1-anthryl)-2-[3,5-bis[3-(1-anthryl)-2-thienyl]phenyl]thiophene CAS Name: 3-(1-anthracenyl)-2-[3,5-bis[3-(1-anthracenyl)-2-thiophenyl]phenyl]thiophene IUPAC Name: 3-anthracen-1-yl-2-[3,5-bis(3-anthracen-1-ylthiophen-2-yl)phenyl]thiophene Traditional Name: 3-(1-anthryl)-2-[3,5-bis[3-(1-anthryl)-2-thienyl]phenyl]thiophene Formula: C60H36S3 MolecularWeight: 853.12284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C(=CC2=C1)C=CC=C3C4=C(SC=C4)C5=CC(=CC(=C5)C6=C(C=CS6)C7=CC=CC8=CC9=CC=CC=C9C=C87)C1=C(C=CS1)C1=CC=CC2=CC3=CC=CC=C3C=C21

Isomeric SMILES

C1=CC=C2C=C3C(=CC2=C1)C=CC=C3C4=C(SC=C4)C5=CC(=CC(=C5)C6=C(C=CS6)C7=CC=CC8=CC9=CC=CC=C9C=C87)C1=C(C=CS1)C1=CC=CC2=CC3=CC=CC=C3C=C21

InChI

InChI=1S/C60H36S3/c1-4-13-40-34-55-43(28-37(40)10-1)16-7-19-49(55)52-22-25-61-58(52)46-31-47(59-53(23-26-62-59)50-20-8-17-44-29-38-11-2-5-14-41(38)35-56(44)50)33-48(32-46)60-54(24-27-63-60)51-21-9-18-45-30-39-12-3-6-15-42(39)36-57(45)51/h1-36H