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

Systemtic Name: 2,9-bis[3,4-dibutyl-5-[5-(3,4-dibutyl-5-iodanyl-thiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1,10-phenanthroline Openeye Name: 2,9-bis[3,4-dibutyl-5-[5-(3,4-dibutyl-5-iodo-2-thienyl)-2-thienyl]-2-thienyl]-1,10-phenanthroline CAS Name: 2,9-bis[3,4-dibutyl-5-[5-(3,4-dibutyl-5-iodo-2-thiophenyl)-2-thiophenyl]-2-thiophenyl]-1,10-phenanthroline IUPAC Name: 2,9-bis[3,4-dibutyl-5-[5-(3,4-dibutyl-5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1,10-phenanthroline Traditional Name: 2,9-bis[3,4-dibutyl-5-[5-(3,4-dibutyl-5-iodo-2-thienyl)-2-thienyl]-2-thienyl]-1,10-phenanthroline Formula: C68H82I2N2S6 MolecularWeight: 1373.59102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(SC(=C1CCCC)C2=CC=C(S2)C3=C(C(=C(S3)I)CCCC)CCCC)C4=NC5=C(C=CC6=C5N=C(C=C6)C7=C(C(=C(S7)C8=CC=C(S8)C9=C(C(=C(S9)I)CCCC)CCCC)CCCC)CCCC)C=C4

Isomeric SMILES

CCCCC1=C(SC(=C1CCCC)C2=CC=C(S2)C3=C(C(=C(S3)I)CCCC)CCCC)C4=NC5=C(C=CC6=C5N=C(C=C6)C7=C(C(=C(S7)C8=CC=C(S8)C9=C(C(=C(S9)I)CCCC)CCCC)CCCC)CCCC)C=C4

InChI

InChI=1S/C68H82I2N2S6/c1-9-17-25-45-47(27-19-11-3)63(55-39-41-57(73-55)65-49(29-21-13-5)51(31-23-15-7)67(69)77-65)75-61(45)53-37-35-43-33-34-44-36-38-54(72-60(44)59(43)71-53)62-46(26-18-10-2)48(28-20-12-4)64(76-62)56-40-42-58(74-56)66-50(30-22-14-6)52(32-24-16-8)68(70)78-66/h33-42H,9-32H2,1-8H3