13,15-bis(5-trimethylstannylthiophen-2-yl)-3,10-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(15),2(6),4,7(11),8,12-hexaen-14-one;2-butyl-4-methyl-7-[5-[9-(5-methylthiophen-2-yl)-8-oxo-6H-as-indaceno[4,5-b]thiophen-7-yl]thiophen-2-yl]isoindole-1,3-dione;4,7-dibromo-2-butylisoindole-1,3-dione

C75H64Br2N2O6S7Sn2 — CID 159121296

About 13,15-bis(5-trimethylstannylthiophen-2-yl)-3,10-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(15),2(6),4,7(11),8,12-hexaen-14-one;2-butyl-4-methyl-7-[5-[9-(5-methylthiophen-2-yl)-8-oxo-6H-as-indaceno[4,5-b]thiophen-7-yl]thiophen-2-yl]isoindole-1,3-dione;4,7-dibromo-2-butylisoindole-1,3-dione

13,15-bis(5-trimethylstannylthiophen-2-yl)-3,10-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(15),2(6),4,7(11),8,12-hexaen-14-one;2-butyl-4-methyl-7-[5-[9-(5-methylthiophen-2-yl)-8-oxo-6H-as-indaceno[4,5-b]thiophen-7-yl]thiophen-2-yl]isoindole-1,3-dione;4,7-dibromo-2-butylisoindole-1,3-dione (PubChem CID 159121296) has the molecular formula C75H64Br2N2O6S7Sn2 and a molecular weight of 1711.04 g/mol. Its IUPAC name is 13,15-bis(5-trimethylstannylthiophen-2-yl)-3,10-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(15),2(6),4,7(11),8,12-hexaen-14-one;2-butyl-4-methyl-7-[5-[9-(5-methylthiophen-2-yl)-8-oxo-6H-as-indaceno[4,5-b]thiophen-7-yl]thiophen-2-yl]isoindole-1,3-dione;4,7-dibromo-2-butylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 13,15-bis(5-trimethylstannylthiophen-2-yl)-3,10-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(15),2(6),4,7(11),8,12-hexaen-14-one;2-butyl-4-methyl-7-[5-[9-(5-methylthiophen-2-yl)-8-oxo-6H-as-indaceno[4,5-b]thiophen-7-yl]thiophen-2-yl]isoindole-1,3-dione;4,7-dibromo-2-butylisoindole-1,3-dione
• PubChem CID: 159121296
• Molecular Formula: C75H64Br2N2O6S7Sn2
• Molecular Weight: 1711.04 g/mol
• Exact Mass: 1709.92
• IUPAC Name: 13,15-bis(5-trimethylstannylthiophen-2-yl)-3,10-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(15),2(6),4,7(11),8,12-hexaen-14-one;2-butyl-4-methyl-7-[5-[9-(5-methylthiophen-2-yl)-8-oxo-6H-as-indaceno[4,5-b]thiophen-7-yl]thiophen-2-yl]isoindole-1,3-dione;4,7-dibromo-2-butylisoindole-1,3-dione
• SMILES: CCCCN1C(=O)c2c(Br)ccc(Br)c2C1=O.CCCCN1C(=O)c2c(C)ccc(-c3ccc(C4=c5c6c(c7ccsc7c5=C(c5ccc(C)s5)C4=O)C=CC6)s3)c2C1=O.C[Sn](C)(C)c1ccc(C2=c3c(c4sccc4c4ccsc34)=C(c3ccc([Sn](C)(C)C)s3)C2=O)s1
• InChI: InChI=1S/C36H27NO3S3.C21H8OS4.C12H11Br2NO2.6CH3.2Sn/c1-4-5-16-37-35(39)27-18(2)9-11-23(29(27)36(37)40)24-13-14-26(43-24)30-28-21-8-6-7-20(21)22-15-17-41-34(22)32(28)31(33(30)38)25-12-10-19(3)42-25;22-19-15(13-3-1-7-23-13)17-18(16(19)14-4-2-8-24-14)21-12(6-10-26-21)11-5-9-25-20(11)17;1-2-3-6-15-11(16)9-7(13)4-5-8(14)10(9)12(15)17;;;;;;;;/h6-7,9-15,17H,4-5,8,16H2,1-3H3;1-6,9-10H;4-5H,2-3,6H2,1H3;6*1H3
• InChIKey: KFSMEUUTFDMZLU-UHFFFAOYSA-N
• XLogP: 17.17
• TPSA: 108.90 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1711.04
LogP ≤ 5	17.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 13,15-bis(5-trimethylstannylthiophen-2-yl)-3,10-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(15),2(6),4,7(11),8,12-hexaen-14-one;2-butyl-4-methyl-7-[5-[9-(5-methylthiophen-2-yl)-8-oxo-6H-as-indaceno[4,5-b]thiophen-7-yl]thiophen-2-yl]isoindole-1,3-dione;4,7-dibromo-2-butylisoindole-1,3-dione?

The IUPAC name of 13,15-bis(5-trimethylstannylthiophen-2-yl)-3,10-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(15),2(6),4,7(11),8,12-hexaen-14-one;2-butyl-4-methyl-7-[5-[9-(5-methylthiophen-2-yl)-8-oxo-6H-as-indaceno[4,5-b]thiophen-7-yl]thiophen-2-yl]isoindole-1,3-dione;4,7-dibromo-2-butylisoindole-1,3-dione (CID 159121296) is 13,15-bis(5-trimethylstannylthiophen-2-yl)-3,10-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(15),2(6),4,7(11),8,12-hexaen-14-one;2-butyl-4-methyl-7-[5-[9-(5-methylthiophen-2-yl)-8-oxo-6H-as-indaceno[4,5-b]thiophen-7-yl]thiophen-2-yl]isoindole-1,3-dione;4,7-dibromo-2-butylisoindole-1,3-dione.

What is the SMILES notation for 13,15-bis(5-trimethylstannylthiophen-2-yl)-3,10-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(15),2(6),4,7(11),8,12-hexaen-14-one;2-butyl-4-methyl-7-[5-[9-(5-methylthiophen-2-yl)-8-oxo-6H-as-indaceno[4,5-b]thiophen-7-yl]thiophen-2-yl]isoindole-1,3-dione;4,7-dibromo-2-butylisoindole-1,3-dione?

The canonical SMILES for 13,15-bis(5-trimethylstannylthiophen-2-yl)-3,10-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(15),2(6),4,7(11),8,12-hexaen-14-one;2-butyl-4-methyl-7-[5-[9-(5-methylthiophen-2-yl)-8-oxo-6H-as-indaceno[4,5-b]thiophen-7-yl]thiophen-2-yl]isoindole-1,3-dione;4,7-dibromo-2-butylisoindole-1,3-dione is CCCCN1C(=O)c2c(Br)ccc(Br)c2C1=O.CCCCN1C(=O)c2c(C)ccc(-c3ccc(C4=c5c6c(c7ccsc7c5=C(c5ccc(C)s5)C4=O)C=CC6)s3)c2C1=O.C[Sn](C)(C)c1ccc(C2=c3c(c4sccc4c4ccsc34)=C(c3ccc([Sn](C)(C)C)s3)C2=O)s1.

What is the InChIKey of 13,15-bis(5-trimethylstannylthiophen-2-yl)-3,10-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(15),2(6),4,7(11),8,12-hexaen-14-one;2-butyl-4-methyl-7-[5-[9-(5-methylthiophen-2-yl)-8-oxo-6H-as-indaceno[4,5-b]thiophen-7-yl]thiophen-2-yl]isoindole-1,3-dione;4,7-dibromo-2-butylisoindole-1,3-dione?

The InChIKey is KFSMEUUTFDMZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27NO3S3.C21H8OS4.C12H11Br2NO2.6CH3.2Sn/c1-4-5-16-37-35(39)27-18(2)9-11-23(29(27)36(37)40)24-13-14-26(43-24)30-28-21-8-6-7-20(21)22-15-17-41-34(22)32(28)31(33(30)38)25-12-10-19(3)42-25;22-19-15(13-3-1-7-23-13)17-18(16(19)14-4-2-8-24-14)21-12(6-10-26-21)11-5-9-25-20(11)17;1-2-3-6-15-11(16)9-7(13)4-5-8(14)10(9)12(15)17;;;;;;;;/h6-7,9-15,17H,4-5,8,16H2,1-3H3;1-6,9-10H;4-5H,2-3,6H2,1H3;6*1H3;;.

What are the key properties of 13,15-bis(5-trimethylstannylthiophen-2-yl)-3,10-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(15),2(6),4,7(11),8,12-hexaen-14-one;2-butyl-4-methyl-7-[5-[9-(5-methylthiophen-2-yl)-8-oxo-6H-as-indaceno[4,5-b]thiophen-7-yl]thiophen-2-yl]isoindole-1,3-dione;4,7-dibromo-2-butylisoindole-1,3-dione?

13,15-bis(5-trimethylstannylthiophen-2-yl)-3,10-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(15),2(6),4,7(11),8,12-hexaen-14-one;2-butyl-4-methyl-7-[5-[9-(5-methylthiophen-2-yl)-8-oxo-6H-as-indaceno[4,5-b]thiophen-7-yl]thiophen-2-yl]isoindole-1,3-dione;4,7-dibromo-2-butylisoindole-1,3-dione has a molecular weight of 1711.04 g/mol, XLogP of 17.17, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 13,15-bis(5-trimethylstannylthiophen-2-yl)-3,10-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(15),2(6),4,7(11),8,12-hexaen-14-one;2-butyl-4-methyl-7-[5-[9-(5-methylthiophen-2-yl)-8-oxo-6H-as-indaceno[4,5-b]thiophen-7-yl]thiophen-2-yl]isoindole-1,3-dione;4,7-dibromo-2-butylisoindole-1,3-dione is sourced from PubChem (CID 159121296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).