7-[7,7-bis(2-ethylhexyl)-10-[5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;tungsten

C363H380F2N20S50Si2W8-8 — CID 160678046

IUPAC7-[7,7-bis(2-ethylhexyl)-10-[5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;tungsten
SMILESCCCCCCc1ccc(-c2ccc(-c3ccc(-c4[c-]cc(-c5cc6c(s5)-c5sc(-c7c[c-]c(-c8ccc(-c9ccc(-c%10ccc(CCCCCC)s%10)s9)s8)c8nsnc78)cc5C6(CC(CC)CCCC)CC(CC)CCCC)c5nsnc45)s3)s2)s1.CCCCCCc1ccc(-c2ccc(-c3ccc(-c4[c-]cc(-c5cc6c(s5)-c5sc(-c7c[c-]c(-c8ccc(-c9ccc(-c%10ccc(CCCCCC)s%10)s9)s8)c8nsnc78)cc5[Si]6(CC(CC)CCCC)CC(CC)CCCC)c5nsnc45)s3)s2)s1.CCCCCCc1ccc(-c2ccc(-c3ccc(-c4c(F)cc(-c5cc6c(s5)-c5sc(-c7cc(F)c(-c8ccc(-c9ccc(-c%10ccc(CCCCCC)s%10)s9)s8)c8nsnc78)cc5C6(CC(CC)CCCC)CC(CC)CCCC)c5nsnc45)s3)s2)s1.CCCCCCc1ccc(-c2ccc(-c3ccc(-c4c[c-]c(-c5cc6c(s5)-c5sc(-c7[c-]cc(-c8ccc(-c9ccc(-c%10ccc(CCCCCC)s%10)s9)s8)c8nsnc78)cc5C6(CC(CC)CCCC)CC(CC)CCCC)c5nsnc45)s3)s2)s1.CCCCCCc1ccc(-c2ccc(-c3ccc(-c4c[c-]c(-c5cc6c(s5)-c5sc(-c7[c-]cc(-c8ccc(-c9ccc(-c%10ccc(CCCCCC)s%10)s9)s8)c8nsnc78)cc5[Si]6(CC(CC)CCCC)CC(CC)CCCC)c5nsnc45)s3)s2)s1.[W].[W].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C73H76F2N4S10.2C73H76N4S10.2C72H76N4S10Si.8W/c1-7-13-17-19-23-45-25-27-53(80-45)55-29-31-57(82-55)59-33-35-61(84-59)65-51(74)37-47(67-69(65)78-88-76-67)63-39-49-71(86-63)72-50(73(49,41-43(11-5)21-15-9-3)42-44(12-6)22-16-10-4)40-64(87-72)48-38-52(75)66(70-68(48)77-89-79-70)62-36-34-60(85-62)58-32-30-56(83-58)54-28-26-46(81-54)24-20-18-14-8-2;2*1-7-13-17-19-23-47-25-31-57(78-47)59-37-39-63(82-59)61-35-33-55(80-61)49-27-29-51(69-67(49)74-86-76-69)65-41-53-71(84-65)72-54(73(53,43-45(11-5)21-15-9-3)44-46(12-6)22-16-10-4)42-66(85-72)52-30-28-50(68-70(52)77-87-75-68)56-34-36-62(81-56)64-40-38-60(83-64)58-32-26-48(79-58)24-20-18-14-8-2;2*1-7-13-17-19-23-47-25-31-55(77-47)57-37-39-61(81-57)59-35-33-53(79-59)49-27-29-51(69-67(49)73-85-75-69)63-41-65-71(83-63)72-66(87(65,43-45(11-5)21-15-9-3)44-46(12-6)22-16-10-4)42-64(84-72)52-30-28-50(68-70(52)76-86-74-68)54-34-36-60(80-54)62-40-38-58(82-62)56-32-26-48(78-56)24-20-18-14-8-2;;;;;;;;/h25-40,43-44H,7-24,41-42H2,1-6H3;25-26,29-42,45-46H,7-24,43-44H2,1-6H3;25-28,31-42,45-46H,7-24,43-44H2,1-6H3;25-26,29-42,45-46H,7-24,43-44H2,1-6H3;25-28,31-42,45-46H,7-24,43-44H2,1-6H3;;;;;;;;/q;4*-2;;;;;;;;
InChIKeyMCMOPXABCFCIGN-UHFFFAOYSA-N
MW8191.41 g/mol
LogP131.90
Rot. Bonds150

About 7-[7,7-bis(2-ethylhexyl)-10-[5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;tungsten

7-[7,7-bis(2-ethylhexyl)-10-[5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;tungsten (PubChem CID 160678046) has the molecular formula C363H380F2N20S50Si2W8-8 and a molecular weight of 8191.41 g/mol. Its IUPAC name is 7-[7,7-bis(2-ethylhexyl)-10-[5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;tungsten.

Molecular Properties

Compound Name7-[7,7-bis(2-ethylhexyl)-10-[5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;tungsten
PubChem CID160678046
Molecular FormulaC363H380F2N20S50Si2W8-8
Molecular Weight8191.41 g/mol
Exact Mass8183.20
IUPAC Name7-[7,7-bis(2-ethylhexyl)-10-[5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;tungsten
SMILESCCCCCCc1ccc(-c2ccc(-c3ccc(-c4[c-]cc(-c5cc6c(s5)-c5sc(-c7c[c-]c(-c8ccc(-c9ccc(-c%10ccc(CCCCCC)s%10)s9)s8)c8nsnc78)cc5C6(CC(CC)CCCC)CC(CC)CCCC)c5nsnc45)s3)s2)s1.CCCCCCc1ccc(-c2ccc(-c3ccc(-c4[c-]cc(-c5cc6c(s5)-c5sc(-c7c[c-]c(-c8ccc(-c9ccc(-c%10ccc(CCCCCC)s%10)s9)s8)c8nsnc78)cc5[Si]6(CC(CC)CCCC)CC(CC)CCCC)c5nsnc45)s3)s2)s1.CCCCCCc1ccc(-c2ccc(-c3ccc(-c4c(F)cc(-c5cc6c(s5)-c5sc(-c7cc(F)c(-c8ccc(-c9ccc(-c%10ccc(CCCCCC)s%10)s9)s8)c8nsnc78)cc5C6(CC(CC)CCCC)CC(CC)CCCC)c5nsnc45)s3)s2)s1.CCCCCCc1ccc(-c2ccc(-c3ccc(-c4c[c-]c(-c5cc6c(s5)-c5sc(-c7[c-]cc(-c8ccc(-c9ccc(-c%10ccc(CCCCCC)s%10)s9)s8)c8nsnc78)cc5C6(CC(CC)CCCC)CC(CC)CCCC)c5nsnc45)s3)s2)s1.CCCCCCc1ccc(-c2ccc(-c3ccc(-c4c[c-]c(-c5cc6c(s5)-c5sc(-c7[c-]cc(-c8ccc(-c9ccc(-c%10ccc(CCCCCC)s%10)s9)s8)c8nsnc78)cc5[Si]6(CC(CC)CCCC)CC(CC)CCCC)c5nsnc45)s3)s2)s1.[W].[W].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C73H76F2N4S10.2C73H76N4S10.2C72H76N4S10Si.8W/c1-7-13-17-19-23-45-25-27-53(80-45)55-29-31-57(82-55)59-33-35-61(84-59)65-51(74)37-47(67-69(65)78-88-76-67)63-39-49-71(86-63)72-50(73(49,41-43(11-5)21-15-9-3)42-44(12-6)22-16-10-4)40-64(87-72)48-38-52(75)66(70-68(48)77-89-79-70)62-36-34-60(85-62)58-32-30-56(83-58)54-28-26-46(81-54)24-20-18-14-8-2;2*1-7-13-17-19-23-47-25-31-57(78-47)59-37-39-63(82-59)61-35-33-55(80-61)49-27-29-51(69-67(49)74-86-76-69)65-41-53-71(84-65)72-54(73(53,43-45(11-5)21-15-9-3)44-46(12-6)22-16-10-4)42-66(85-72)52-30-28-50(68-70(52)77-87-75-68)56-34-36-62(81-56)64-40-38-60(83-64)58-32-26-48(79-58)24-20-18-14-8-2;2*1-7-13-17-19-23-47-25-31-55(77-47)57-37-39-61(81-57)59-35-33-53(79-59)49-27-29-51(69-67(49)73-85-75-69)63-41-65-71(83-63)72-66(87(65,43-45(11-5)21-15-9-3)44-46(12-6)22-16-10-4)42-64(84-72)52-30-28-50(68-70(52)76-86-74-68)54-34-36-60(80-54)62-40-38-58(82-62)56-32-26-48(78-56)24-20-18-14-8-2;;;;;;;;/h25-40,43-44H,7-24,41-42H2,1-6H3;25-26,29-42,45-46H,7-24,43-44H2,1-6H3;25-28,31-42,45-46H,7-24,43-44H2,1-6H3;25-26,29-42,45-46H,7-24,43-44H2,1-6H3;25-28,31-42,45-46H,7-24,43-44H2,1-6H3;;;;;;;;/q;4*-2;;;;;;;;
InChIKeyMCMOPXABCFCIGN-UHFFFAOYSA-N
XLogP131.90
TPSA257.80 Ų
H-Bond Donors
H-Bond Acceptors70
Rotatable Bonds150
Heavy Atoms445
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5008191.41
LogP ≤ 5131.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1070

Analyze 7-[7,7-bis(2-ethylhexyl)-10-[5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;tungsten with MolForge

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Related Compounds

4-[7,7-bis(2-ethylhexyl)-10-[5-fluoro-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-fluoro-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;7-[7,7-bis(2-ethylhexyl)-10-[5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[7,7-bis(2-ethylhexyl)-10-[5-fluoro-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-fluoro-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole
CID 159835333
4-[7,7-bis(2-ethyloctyl)-10-[5-fluoro-7-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5,6-difluoro-7-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;4-[10-[5,6-difluoro-7-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]-7,7-bis(2-ethyloctyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5,6-difluoro-7-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole
CID 157238973
7-[7,7-bis(2-ethylhexyl)-10-[6-fluoro-2-hexyl-7-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]benzotriazol-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-fluoro-2-hexyl-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]benzotriazole
CID 132599125
4-[7,7-bis(2-ethylhexyl)-10-[5-fluoro-2-hexyl-7-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]benzotriazol-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-fluoro-2-hexyl-7-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]benzotriazole
CID 132599126
7-[5-[15-[5-[5,6-difluoro-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]furan-2-yl]-9,9,18,18-tetrakis(2-ethylhexyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]furan-2-yl]-5,6-difluoro-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole
CID 132561057
7-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]-4-[2-[15-[5-[7-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazol-4-yl]thieno[3,2-b]thiophen-2-yl]-9,9,18,18-tetrakis(2-ethylhexyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]thieno[3,2-b]thiophen-5-yl]-5,6-difluoro-2,1,3-benzothiadiazole
CID 132562961
4-[7,7-bis(2-ethylhexyl)-10-[5-fluoro-7-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5,6-difluoro-7-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;[7,7-bis(2-ethylhexyl)-10-[5-fluoro-7-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylstannane;4-bromo-5,6-difluoro-7-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;palladium;tetrakis(triphenylphosphane)
CID 159144236
7-[7,7-bis(2-ethylhexyl)-10-[4-(5-thiophen-2-ylthiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-(5-thiophen-2-ylthiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine;4-[7,7-dihexyl-10-[7-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;7-[7,7-dihexyl-10-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4-[7,7-dihexyl-10-[7-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;7-[7,7-dihexyl-10-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 159460584
7-[7,7-bis(2-ethylhexyl)-10-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylstannane;bis(7-bromo-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine);4,7-dibromo-[1,2,5]thiadiazolo[3,4-c]pyridine;2-hexyl-5-(5-methylthiophen-2-yl)thiophene
CID 159409433
4-[7,7-bis(2-ethylhexyl)-10-[7-[5-(2-ethylhexyl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-(2-ethylhexyl)thiophen-2-yl]-2,1,3-benzothiadiazole
CID 164934074
4-bromo-5-fluoro-7-[5-(5-pentylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole
CID 155791377
4,7-bis[10-bromo-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-2,1,3-benzothiadiazole
CID 123305317

Frequently Asked Questions

What is the IUPAC name of 7-[7,7-bis(2-ethylhexyl)-10-[5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;tungsten?
The IUPAC name of 7-[7,7-bis(2-ethylhexyl)-10-[5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;tungsten (CID 160678046) is 7-[7,7-bis(2-ethylhexyl)-10-[5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;tungsten.
What is the SMILES notation for 7-[7,7-bis(2-ethylhexyl)-10-[5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;tungsten?
The canonical SMILES for 7-[7,7-bis(2-ethylhexyl)-10-[5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;tungsten is CCCCCCc1ccc(-c2ccc(-c3ccc(-c4[c-]cc(-c5cc6c(s5)-c5sc(-c7c[c-]c(-c8ccc(-c9ccc(-c%10ccc(CCCCCC)s%10)s9)s8)c8nsnc78)cc5C6(CC(CC)CCCC)CC(CC)CCCC)c5nsnc45)s3)s2)s1.CCCCCCc1ccc(-c2ccc(-c3ccc(-c4[c-]cc(-c5cc6c(s5)-c5sc(-c7c[c-]c(-c8ccc(-c9ccc(-c%10ccc(CCCCCC)s%10)s9)s8)c8nsnc78)cc5[Si]6(CC(CC)CCCC)CC(CC)CCCC)c5nsnc45)s3)s2)s1.CCCCCCc1ccc(-c2ccc(-c3ccc(-c4c(F)cc(-c5cc6c(s5)-c5sc(-c7cc(F)c(-c8ccc(-c9ccc(-c%10ccc(CCCCCC)s%10)s9)s8)c8nsnc78)cc5C6(CC(CC)CCCC)CC(CC)CCCC)c5nsnc45)s3)s2)s1.CCCCCCc1ccc(-c2ccc(-c3ccc(-c4c[c-]c(-c5cc6c(s5)-c5sc(-c7[c-]cc(-c8ccc(-c9ccc(-c%10ccc(CCCCCC)s%10)s9)s8)c8nsnc78)cc5C6(CC(CC)CCCC)CC(CC)CCCC)c5nsnc45)s3)s2)s1.CCCCCCc1ccc(-c2ccc(-c3ccc(-c4c[c-]c(-c5cc6c(s5)-c5sc(-c7[c-]cc(-c8ccc(-c9ccc(-c%10ccc(CCCCCC)s%10)s9)s8)c8nsnc78)cc5[Si]6(CC(CC)CCCC)CC(CC)CCCC)c5nsnc45)s3)s2)s1.[W].[W].[W].[W].[W].[W].[W].[W].
What is the InChIKey of 7-[7,7-bis(2-ethylhexyl)-10-[5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;tungsten?
The InChIKey is MCMOPXABCFCIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H76F2N4S10.2C73H76N4S10.2C72H76N4S10Si.8W/c1-7-13-17-19-23-45-25-27-53(80-45)55-29-31-57(82-55)59-33-35-61(84-59)65-51(74)37-47(67-69(65)78-88-76-67)63-39-49-71(86-63)72-50(73(49,41-43(11-5)21-15-9-3)42-44(12-6)22-16-10-4)40-64(87-72)48-38-52(75)66(70-68(48)77-89-79-70)62-36-34-60(85-62)58-32-30-56(83-58)54-28-26-46(81-54)24-20-18-14-8-2;2*1-7-13-17-19-23-47-25-31-57(78-47)59-37-39-63(82-59)61-35-33-55(80-61)49-27-29-51(69-67(49)74-86-76-69)65-41-53-71(84-65)72-54(73(53,43-45(11-5)21-15-9-3)44-46(12-6)22-16-10-4)42-66(85-72)52-30-28-50(68-70(52)77-87-75-68)56-34-36-62(81-56)64-40-38-60(83-64)58-32-26-48(79-58)24-20-18-14-8-2;2*1-7-13-17-19-23-47-25-31-55(77-47)57-37-39-61(81-57)59-35-33-53(79-59)49-27-29-51(69-67(49)73-85-75-69)63-41-65-71(83-63)72-66(87(65,43-45(11-5)21-15-9-3)44-46(12-6)22-16-10-4)42-64(84-72)52-30-28-50(68-70(52)76-86-74-68)54-34-36-60(80-54)62-40-38-58(82-62)56-32-26-48(78-56)24-20-18-14-8-2;;;;;;;;/h25-40,43-44H,7-24,41-42H2,1-6H3;25-26,29-42,45-46H,7-24,43-44H2,1-6H3;25-28,31-42,45-46H,7-24,43-44H2,1-6H3;25-26,29-42,45-46H,7-24,43-44H2,1-6H3;25-28,31-42,45-46H,7-24,43-44H2,1-6H3;;;;;;;;/q;4*-2;;;;;;;;.
What are the key properties of 7-[7,7-bis(2-ethylhexyl)-10-[5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;tungsten?
7-[7,7-bis(2-ethylhexyl)-10-[5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;tungsten has a molecular weight of 8191.41 g/mol, XLogP of 131.90, 150 rotatable bonds, 0 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7,7-bis(2-ethylhexyl)-10-[5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5-fluoro-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;4-[7,7-bis(2-ethylhexyl)-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-4-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;7-[7,7-bis(2-ethylhexyl)-10-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-id-7-yl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5H-2,1,3-benzothiadiazol-5-ide;tungsten is sourced from PubChem (CID 160678046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).