5-[3,5-bis(4-pyren-1-ylphenyl)phenyl]-3-methyl-2-[4-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene

Systemtic Name: 5-[3,5-bis(4-pyren-1-ylphenyl)phenyl]-3-methyl-2-[4-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene Openeye Name: 5-[3,5-bis(4-pyren-1-ylphenyl)phenyl]-3-methyl-2-[4-methyl-5-(5-methyl-2-thienyl)-2-thienyl]thiophene CAS Name: 5-[3,5-bis[4-(1-pyrenyl)phenyl]phenyl]-3-methyl-2-[4-methyl-5-(5-methyl-2-thiophenyl)-2-thiophenyl]thiophene IUPAC Name: 5-[3,5-bis(4-pyren-1-ylphenyl)phenyl]-3-methyl-2-[4-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene Traditional Name: 5-[3,5-bis(4-pyren-1-ylphenyl)phenyl]-3-methyl-2-[4-methyl-5-(5-methyl-2-thienyl)-2-thienyl]thiophene Formula: C65H42S3 MolecularWeight: 919.22398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=C(C=C(S2)C3=C(C=C(S3)C4=CC(=CC(=C4)C5=CC=C(C=C5)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=CC=C(C=C1)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C)C

Isomeric SMILES

CC1=CC=C(S1)C2=C(C=C(S2)C3=C(C=C(S3)C4=CC(=CC(=C4)C5=CC=C(C=C5)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=CC=C(C=C1)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C)C

InChI

InChI=1S/C65H42S3/c1-37-32-58(67-65(37)59-33-38(2)64(68-59)57-31-10-39(3)66-57)52-35-50(40-11-15-42(16-12-40)53-27-23-48-21-19-44-6-4-8-46-25-29-55(53)62(48)60(44)46)34-51(36-52)41-13-17-43(18-14-41)54-28-24-49-22-20-45-7-5-9-47-26-30-56(54)63(49)61(45)47/h4-36H,1-3H3