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

C217H228F6N12S30Si2 — CID 159835333

About 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

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 (PubChem CID 159835333) has the molecular formula C217H228F6N12S30Si2 and a molecular weight of 4136.46 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159835333
• Molecular Formula: C217H228F6N12S30Si2
• Molecular Weight: 4136.46 g/mol
• Exact Mass: 4130.93
• IUPAC Name: 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
• SMILES: CCCCCCc1ccc(-c2ccc(-c3ccc(-c4c(F)cc(-c5cc6c(s5)-c5sc(-c7cc(F)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(-c4cc(F)c(-c5cc6c(s5)-c5sc(-c7c(F)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(-c4cc(F)c(-c5cc6c(s5)-c5sc(-c7c(F)cc(-c8ccc(-c9ccc(-c%10ccc(CCCCCC)s%10)s9)s8)c8nsnc78)cc5[Si]6(CC(CC)CCCC)CC(CC)CCCC)c5nsnc45)s3)s2)s1
• InChI: InChI=1S/C73H76F2N4S10.2C72H76F2N4S10Si/c1-7-13-17-19-23-45-25-27-55(80-45)57-33-35-61(84-57)59-31-29-53(82-59)47-37-51(74)65(69-67(47)76-88-78-69)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)66-52(75)38-48(68-70(66)79-89-77-68)54-30-32-60(83-54)62-36-34-58(85-62)56-28-26-46(81-56)24-20-18-14-8-2;1-7-13-17-19-23-45-25-27-53(79-45)55-33-35-59(83-55)57-31-29-51(81-57)47-37-49(73)65(69-67(47)75-87-77-69)61-39-63-71(85-61)72-64(89(63,41-43(11-5)21-15-9-3)42-44(12-6)22-16-10-4)40-62(86-72)66-50(74)38-48(68-70(66)78-88-76-68)52-30-32-58(82-52)60-36-34-56(84-60)54-28-26-46(80-54)24-20-18-14-8-2;1-7-13-17-19-23-45-25-27-51(79-45)53-29-31-55(81-53)57-33-35-59(83-57)65-49(73)37-47(67-69(65)77-87-75-67)61-39-63-71(85-61)72-64(89(63,41-43(11-5)21-15-9-3)42-44(12-6)22-16-10-4)40-62(86-72)48-38-50(74)66(70-68(48)76-88-78-70)60-36-34-58(84-60)56-32-30-54(82-56)52-28-26-46(80-52)24-20-18-14-8-2/h3*25-40,43-44H,7-24,41-42H2,1-6H3
• InChIKey: NNZPRUHNMMGTOR-UHFFFAOYSA-N
• XLogP: 79.58
• TPSA: 154.68 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 90
• Heavy Atoms: 267
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4136.46
LogP ≤ 5	79.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCCCCCc1ccc(-c2ccc(-c3ccc(-c4c(F)cc(-c5cc6c(s5)-c5sc(-c7cc(F)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(-c4cc(F)c(-c5cc6c(s5)-c5sc(-c7c(F)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(-c4cc(F)c(-c5cc6c(s5)-c5sc(-c7c(F)cc(-c8ccc(-c9ccc(-c%10ccc(CCCCCC)s%10)s9)s8)c8nsnc78)cc5[Si]6(CC(CC)CCCC)CC(CC)CCCC)c5nsnc45)s3)s2)s1.

What is the InChIKey of 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?

The InChIKey is NNZPRUHNMMGTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H76F2N4S10.2C72H76F2N4S10Si/c1-7-13-17-19-23-45-25-27-55(80-45)57-33-35-61(84-57)59-31-29-53(82-59)47-37-51(74)65(69-67(47)76-88-78-69)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)66-52(75)38-48(68-70(66)79-89-77-68)54-30-32-60(83-54)62-36-34-58(85-62)56-28-26-46(81-56)24-20-18-14-8-2;1-7-13-17-19-23-45-25-27-53(79-45)55-33-35-59(83-55)57-31-29-51(81-57)47-37-49(73)65(69-67(47)75-87-77-69)61-39-63-71(85-61)72-64(89(63,41-43(11-5)21-15-9-3)42-44(12-6)22-16-10-4)40-62(86-72)66-50(74)38-48(68-70(66)78-88-76-68)52-30-32-58(82-52)60-36-34-56(84-60)54-28-26-46(80-54)24-20-18-14-8-2;1-7-13-17-19-23-45-25-27-51(79-45)53-29-31-55(81-53)57-33-35-59(83-57)65-49(73)37-47(67-69(65)77-87-75-67)61-39-63-71(85-61)72-64(89(63,41-43(11-5)21-15-9-3)42-44(12-6)22-16-10-4)40-62(86-72)48-38-50(74)66(70-68(48)76-88-78-70)60-36-34-58(84-60)56-32-30-54(82-56)52-28-26-46(80-52)24-20-18-14-8-2/h3*25-40,43-44H,7-24,41-42H2,1-6H3.

What are the key properties of 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?

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 has a molecular weight of 4136.46 g/mol, XLogP of 79.58, 90 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159835333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).