3-[10-[1-(7-cyclohexyl-10-methyl-7-octyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-decyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-5-decyl-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[10-[1-(7,7-didecyl-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-octyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-1-methyl-5-octylthieno[3,4-c]pyrrole-4,6-dione

C162H234N4O8S12Si4 — CID 158667962

About 3-[10-[1-(7-cyclohexyl-10-methyl-7-octyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-decyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-5-decyl-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[10-[1-(7,7-didecyl-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-octyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-1-methyl-5-octylthieno[3,4-c]pyrrole-4,6-dione

3-[10-[1-(7-cyclohexyl-10-methyl-7-octyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-decyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-5-decyl-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[10-[1-(7,7-didecyl-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-octyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-1-methyl-5-octylthieno[3,4-c]pyrrole-4,6-dione (PubChem CID 158667962) has the molecular formula C162H234N4O8S12Si4 and a molecular weight of 2862.82 g/mol. Its IUPAC name is 3-[10-[1-(7-cyclohexyl-10-methyl-7-octyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-decyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-5-decyl-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[10-[1-(7,7-didecyl-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-octyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-1-methyl-5-octylthieno[3,4-c]pyrrole-4,6-dione.

Molecular Properties

• Compound Name: 3-[10-[1-(7-cyclohexyl-10-methyl-7-octyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-decyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-5-decyl-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[10-[1-(7,7-didecyl-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-octyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-1-methyl-5-octylthieno[3,4-c]pyrrole-4,6-dione
• PubChem CID: 158667962
• Molecular Formula: C162H234N4O8S12Si4
• Molecular Weight: 2862.82 g/mol
• Exact Mass: 2859.38
• IUPAC Name: 3-[10-[1-(7-cyclohexyl-10-methyl-7-octyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-decyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-5-decyl-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[10-[1-(7,7-didecyl-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-octyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-1-methyl-5-octylthieno[3,4-c]pyrrole-4,6-dione
• SMILES: CCCCCCCCCCN1C(=O)c2c(C)sc(-c3cc4c(s3)-c3sc(-c5sc(-c6cc7c(s6)-c6sc(C)cc6[Si]7(CCCCCCCC)C6CCCCC6)c6c5C(=O)N(CCCCCCCCCC)C6=O)cc3[Si]4(CC(CC)CCCC)CC(CC)CCCC)c2C1=O.CCCCCCCCCC[Si]1(CCCCCCCCCC)c2cc(C)sc2-c2sc(-c3sc(-c4cc5c(s4)-c4sc(-c6sc(C)c7c6C(=O)N(CCCCCCCC)C7=O)cc4[Si]5(CC(CC)CCCC)CC(CC)CCCC)c4c3C(=O)N(CCCCCCCC)C4=O)cc21
• InChI: InChI=1S/C82H120N2O4S6Si2.C80H114N2O4S6Si2/c1-11-19-25-29-33-35-39-43-49-95(50-44-40-36-34-30-26-20-12-2)64-51-57(9)89-75(64)76-65(95)52-62(92-76)73-70-71(82(88)84(81(70)87)48-42-38-32-28-22-14-4)74(94-73)63-54-67-78(93-63)77-66(96(67,55-59(17-7)45-23-15-5)56-60(18-8)46-24-16-6)53-61(91-77)72-69-68(58(10)90-72)79(85)83(80(69)86)47-41-37-31-27-21-13-3;1-10-17-22-25-28-30-32-38-45-81-77(83)66-55(9)88-70(67(66)78(81)84)59-49-62-73(89-59)74-63(93(62,52-56(15-6)41-20-13-4)53-57(16-7)42-21-14-5)50-60(90-74)71-68-69(80(86)82(79(68)85)46-39-33-31-29-26-23-18-11-2)72(92-71)61-51-65-76(91-61)75-64(48-54(8)87-75)94(65,58-43-36-35-37-44-58)47-40-34-27-24-19-12-3/h51-54,59-60H,11-50,55-56H2,1-10H3;48-51,56-58H,10-47,52-53H2,1-9H3
• InChIKey: IDPCNYKKDOPOCU-UHFFFAOYSA-N
• XLogP: 49.75
• TPSA: 149.52 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 88
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2862.82
LogP ≤ 5	49.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[10-[1-(7-cyclohexyl-10-methyl-7-octyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-decyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-5-decyl-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[10-[1-(7,7-didecyl-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-octyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-1-methyl-5-octylthieno[3,4-c]pyrrole-4,6-dione?

The IUPAC name of 3-[10-[1-(7-cyclohexyl-10-methyl-7-octyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-decyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-5-decyl-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[10-[1-(7,7-didecyl-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-octyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-1-methyl-5-octylthieno[3,4-c]pyrrole-4,6-dione (CID 158667962) is 3-[10-[1-(7-cyclohexyl-10-methyl-7-octyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-decyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-5-decyl-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[10-[1-(7,7-didecyl-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-octyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-1-methyl-5-octylthieno[3,4-c]pyrrole-4,6-dione.

What is the SMILES notation for 3-[10-[1-(7-cyclohexyl-10-methyl-7-octyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-decyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-5-decyl-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[10-[1-(7,7-didecyl-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-octyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-1-methyl-5-octylthieno[3,4-c]pyrrole-4,6-dione?

The canonical SMILES for 3-[10-[1-(7-cyclohexyl-10-methyl-7-octyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-decyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-5-decyl-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[10-[1-(7,7-didecyl-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-octyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-1-methyl-5-octylthieno[3,4-c]pyrrole-4,6-dione is CCCCCCCCCCN1C(=O)c2c(C)sc(-c3cc4c(s3)-c3sc(-c5sc(-c6cc7c(s6)-c6sc(C)cc6[Si]7(CCCCCCCC)C6CCCCC6)c6c5C(=O)N(CCCCCCCCCC)C6=O)cc3[Si]4(CC(CC)CCCC)CC(CC)CCCC)c2C1=O.CCCCCCCCCC[Si]1(CCCCCCCCCC)c2cc(C)sc2-c2sc(-c3sc(-c4cc5c(s4)-c4sc(-c6sc(C)c7c6C(=O)N(CCCCCCCC)C7=O)cc4[Si]5(CC(CC)CCCC)CC(CC)CCCC)c4c3C(=O)N(CCCCCCCC)C4=O)cc21.

What is the InChIKey of 3-[10-[1-(7-cyclohexyl-10-methyl-7-octyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-decyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-5-decyl-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[10-[1-(7,7-didecyl-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-octyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-1-methyl-5-octylthieno[3,4-c]pyrrole-4,6-dione?

The InChIKey is IDPCNYKKDOPOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H120N2O4S6Si2.C80H114N2O4S6Si2/c1-11-19-25-29-33-35-39-43-49-95(50-44-40-36-34-30-26-20-12-2)64-51-57(9)89-75(64)76-65(95)52-62(92-76)73-70-71(82(88)84(81(70)87)48-42-38-32-28-22-14-4)74(94-73)63-54-67-78(93-63)77-66(96(67,55-59(17-7)45-23-15-5)56-60(18-8)46-24-16-6)53-61(91-77)72-69-68(58(10)90-72)79(85)83(80(69)86)47-41-37-31-27-21-13-3;1-10-17-22-25-28-30-32-38-45-81-77(83)66-55(9)88-70(67(66)78(81)84)59-49-62-73(89-59)74-63(93(62,52-56(15-6)41-20-13-4)53-57(16-7)42-21-14-5)50-60(90-74)71-68-69(80(86)82(79(68)85)46-39-33-31-29-26-23-18-11-2)72(92-71)61-51-65-76(91-61)75-64(48-54(8)87-75)94(65,58-43-36-35-37-44-58)47-40-34-27-24-19-12-3/h51-54,59-60H,11-50,55-56H2,1-10H3;48-51,56-58H,10-47,52-53H2,1-9H3.

What are the key properties of 3-[10-[1-(7-cyclohexyl-10-methyl-7-octyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-decyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-5-decyl-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[10-[1-(7,7-didecyl-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-octyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-1-methyl-5-octylthieno[3,4-c]pyrrole-4,6-dione?

3-[10-[1-(7-cyclohexyl-10-methyl-7-octyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-decyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-5-decyl-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[10-[1-(7,7-didecyl-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-octyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-1-methyl-5-octylthieno[3,4-c]pyrrole-4,6-dione has a molecular weight of 2862.82 g/mol, XLogP of 49.75, 88 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[10-[1-(7-cyclohexyl-10-methyl-7-octyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-decyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-5-decyl-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[10-[1-(7,7-didecyl-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-5-octyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-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]-1-methyl-5-octylthieno[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 158667962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).