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5-{[5'-(5-{2,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-11-(4-hexyl-5-{3-hexyl-5'-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-[2,2'-bithiophen]-5-yl}thiophen-2-yl)-4,10-dithiatricyclo[7.3.0.0³,?]dodeca-1,3(7),5,8,11-pentaen-5-yl}-3-hexylthiophen-2-yl)-3'-hexyl-[2,2'-bithiophen]-5-yl]methylidene}-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one

5-{[5'-(5-{2,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-11-(4-hexyl-5-{3-hexyl-5'-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-[2,2'-bithiophen]-5-yl}thiophen-2-yl)-4,10-dithiatricyclo[7.3.0.0³,?]dodeca-1,3(7),5,8,11-pentaen-5-yl}-3-hexylthiophen-2-yl)-3'-hexyl-[2,2'-bithiophen]-5-yl]methylidene}-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one

Formula: C102H126Cl2N2O2S14

SMILES: CCCCCCN1C(=S)SC(=CC2=CC=C(S2)C2=C(CCCCCC)C=C(S2)C2=C(CCCCCC)C=C(S2)C2=CC3=C(S2)C(C2=CC(Cl)=C(CC(CC)CCCC)S2)=C2C=C(SC2=C3C2=CC(Cl)=C(CC(CC)CCCC)S2)C2=CC(CCCCCC)=C(S2)C2=CC(CCCCCC)=C(S2)C2=CC=C(S2)C=C2SC(=S)N(CCCCCC)C2=O)C1=O

IUPAC: 5-{[5'-(5-{2,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-11-(4-hexyl-5-{3-hexyl-5'-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-[2,2'-bithiophen]-5-yl}thiophen-2-yl)-4,10-dithiatricyclo[7.3.0.0³,?]dodeca-1,3(7),5,8,11-pentaen-5-yl}-3-hexylthiophen-2-yl)-3'-hexyl-[2,2'-bithiophen]-5-yl]methylidene}-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one

InChI: InChI=1/C102H126Cl2N2O2S14/c1-11-21-29-35-43-67-55-81(115-95(67)87-57-69(45-37-31-23-13-3)93(119-87)77-49-47-71(111-77)59-89-99(107)105(101(109)121-89)51-39-33-25-15-5)83-61-73-91(85-63-75(103)79(113-85)53-65(19-9)41-27-17-7)98-74(92(97(73)117-83)86-64-76

Composition: C (63.42%), H (6.57%), Cl (3.67%), N (1.45%), O (1.66%), S (23.23%)

Molar Mass: 1931.88

Atom Count: 248

Heavy Atom Count: 122

Properties
Properties
Common Names N/A
Aromatic Ring Count 11
Asymmetric Atom Count 2
Exact Mass 1928.5286331
Formal Charge 0
FSP3 0.51
Hetero Ring Count 12
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey DSPAOLSPFWIMNK-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 555.53
Topological Polar Surface Area 40.62
Polarizability 227.22
Ring Count 13
Rotatable Bond Count 52

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