CAS 1037440-21-3 MK-2 Dye - Materials / Alfa Chemistry

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MK-2 Dye

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Catalog Number

ACM1037440213

Product Name

MK-2 Dye

CAS

1037440-21-3

Category

Organic Solar Cell (OPV) Materials

IUPAC Name

(Z)-2-cyano-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]prop-2-enoic acid

Molecular Weight

955.5g/mol

Molecular Formula

C58H70N2O2S4

Canonical SMILES

CCCCCCC1=C(SC(=C1)C2=C(C=C(S2)C3=C(C=C(S3)C4=C(C=C(S4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)CC)CCCCCC)CCCCCC)CCCCCC)C=C(C#N)C(=O)O

InChI

InChI=1S/C58H70N2O2S4/c1-6-11-15-19-25-40-34-52(63-50(40)38-45(39-59)58(61)62)55-43(27-21-17-13-8-3)36-54(65-55)57-44(28-22-18-14-9-4)37-53(66-57)56-42(26-20-16-12-7-2)35-51(64-56)41-31-32-49-47(33-41)46-29-23-24-30-48(46)60(49)10-5/h23-24,29-38H,6-22,25-28H2,1-5H3,(H,61,62)/b45-38-

InChI Key

FOELOZKDLHJOHT-JYRXYQGCSA-N

Complexity

1530

Covalently-Bonded Unit Count

Exact Mass

954.432014g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

954.432014g/mol

Rotatable Bond Count