2,9-bis[5-(3,4-dibutyl-5-thiophen-2-yl-thiophen-2-yl)thiophen-2-yl]-1,10-phenanthroline

Systemtic Name: 2,9-bis[5-(3,4-dibutyl-5-thiophen-2-yl-thiophen-2-yl)thiophen-2-yl]-1,10-phenanthroline Openeye Name: 2,9-bis[5-[3,4-dibutyl-5-(2-thienyl)-2-thienyl]-2-thienyl]-1,10-phenanthroline CAS Name: 2,9-bis[5-(3,4-dibutyl-5-thiophen-2-yl-2-thiophenyl)-2-thiophenyl]-1,10-phenanthroline IUPAC Name: 2,9-bis[5-(3,4-dibutyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1,10-phenanthroline Traditional Name: 2,9-bis[5-[3,4-dibutyl-5-(2-thienyl)-2-thienyl]-2-thienyl]-1,10-phenanthroline Formula: C52H52N2S6 MolecularWeight: 897.37268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(SC(=C1CCCC)C2=CC=C(S2)C3=NC4=C(C=CC5=C4N=C(C=C5)C6=CC=C(S6)C7=C(C(=C(S7)C8=CC=CS8)CCCC)CCCC)C=C3)C9=CC=CS9

Isomeric SMILES

CCCCC1=C(SC(=C1CCCC)C2=CC=C(S2)C3=NC4=C(C=CC5=C4N=C(C=C5)C6=CC=C(S6)C7=C(C(=C(S7)C8=CC=CS8)CCCC)CCCC)C=C3)C9=CC=CS9

InChI

InChI=1S/C52H52N2S6/c1-5-9-15-35-37(17-11-7-3)51(59-49(35)43-19-13-31-55-43)45-29-27-41(57-45)39-25-23-33-21-22-34-24-26-40(54-48(34)47(33)53-39)42-28-30-46(58-42)52-38(18-12-8-4)36(16-10-6-2)50(60-52)44-20-14-32-56-44/h13-14,19-32H,5-12,15-18H2,1-4H3