2,8-bis[5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole;2-(2-decylthieno[3,2-b]thiophen-5-yl)-8-(2-methylthieno[3,2-b]thiophen-5-yl)-5,11-diphenylindolo[3,2-b]carbazole

C123H110N4S10 — CID 162081043

About 2,8-bis[5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole;2-(2-decylthieno[3,2-b]thiophen-5-yl)-8-(2-methylthieno[3,2-b]thiophen-5-yl)-5,11-diphenylindolo[3,2-b]carbazole

2,8-bis[5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole;2-(2-decylthieno[3,2-b]thiophen-5-yl)-8-(2-methylthieno[3,2-b]thiophen-5-yl)-5,11-diphenylindolo[3,2-b]carbazole (PubChem CID 162081043) has the molecular formula C123H110N4S10 and a molecular weight of 1964.93 g/mol. Its IUPAC name is 2,8-bis[5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole;2-(2-decylthieno[3,2-b]thiophen-5-yl)-8-(2-methylthieno[3,2-b]thiophen-5-yl)-5,11-diphenylindolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 2,8-bis[5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole;2-(2-decylthieno[3,2-b]thiophen-5-yl)-8-(2-methylthieno[3,2-b]thiophen-5-yl)-5,11-diphenylindolo[3,2-b]carbazole
• PubChem CID: 162081043
• Molecular Formula: C123H110N4S10
• Molecular Weight: 1964.93 g/mol
• Exact Mass: 1962.59
• IUPAC Name: 2,8-bis[5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole;2-(2-decylthieno[3,2-b]thiophen-5-yl)-8-(2-methylthieno[3,2-b]thiophen-5-yl)-5,11-diphenylindolo[3,2-b]carbazole
• SMILES: CCCCCCCCCCc1cc2sc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)c3cc(-c4cc6sc(C)cc6s4)ccc3n5-c3ccccc3)cc2s1.CCCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)c4cc(-c5ccc(-c7ccc(-c8ccc(CCCCCCCC)s8)s7)s5)ccc4n6-c4ccccc4)s3)s2)s1
• InChI: InChI=1S/C70H64N2S6.C53H46N2S4/c1-3-5-7-9-11-19-25-51-29-33-63(73-51)65-39-41-69(77-65)67-37-35-61(75-67)47-27-31-57-53(43-47)55-45-60-56(46-59(55)71(57)49-21-15-13-16-22-49)54-44-48(28-32-58(54)72(60)50-23-17-14-18-24-50)62-36-38-68(76-62)70-42-40-66(78-70)64-34-30-52(74-64)26-20-12-10-8-6-4-2;1-3-4-5-6-7-8-9-16-21-39-29-51-53(57-39)33-49(59-51)36-23-25-45-41(28-36)43-31-46-42(30-47(43)55(45)38-19-14-11-15-20-38)40-27-35(48-32-52-50(58-48)26-34(2)56-52)22-24-44(40)54(46)37-17-12-10-13-18-37/h13-18,21-24,27-46H,3-12,19-20,25-26H2,1-2H3;10-15,17-20,22-33H,3-9,16,21H2,1-2H3
• InChIKey: ZCIQEZORULEHCP-UHFFFAOYSA-N
• XLogP: 41.82
• TPSA: 19.72 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 35
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1964.93
LogP ≤ 5	41.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,8-bis[5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole;2-(2-decylthieno[3,2-b]thiophen-5-yl)-8-(2-methylthieno[3,2-b]thiophen-5-yl)-5,11-diphenylindolo[3,2-b]carbazole?

The IUPAC name of 2,8-bis[5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole;2-(2-decylthieno[3,2-b]thiophen-5-yl)-8-(2-methylthieno[3,2-b]thiophen-5-yl)-5,11-diphenylindolo[3,2-b]carbazole (CID 162081043) is 2,8-bis[5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole;2-(2-decylthieno[3,2-b]thiophen-5-yl)-8-(2-methylthieno[3,2-b]thiophen-5-yl)-5,11-diphenylindolo[3,2-b]carbazole.

What is the SMILES notation for 2,8-bis[5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole;2-(2-decylthieno[3,2-b]thiophen-5-yl)-8-(2-methylthieno[3,2-b]thiophen-5-yl)-5,11-diphenylindolo[3,2-b]carbazole?

The canonical SMILES for 2,8-bis[5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole;2-(2-decylthieno[3,2-b]thiophen-5-yl)-8-(2-methylthieno[3,2-b]thiophen-5-yl)-5,11-diphenylindolo[3,2-b]carbazole is CCCCCCCCCCc1cc2sc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)c3cc(-c4cc6sc(C)cc6s4)ccc3n5-c3ccccc3)cc2s1.CCCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)c4cc(-c5ccc(-c7ccc(-c8ccc(CCCCCCCC)s8)s7)s5)ccc4n6-c4ccccc4)s3)s2)s1.

What is the InChIKey of 2,8-bis[5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole;2-(2-decylthieno[3,2-b]thiophen-5-yl)-8-(2-methylthieno[3,2-b]thiophen-5-yl)-5,11-diphenylindolo[3,2-b]carbazole?

The InChIKey is ZCIQEZORULEHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H64N2S6.C53H46N2S4/c1-3-5-7-9-11-19-25-51-29-33-63(73-51)65-39-41-69(77-65)67-37-35-61(75-67)47-27-31-57-53(43-47)55-45-60-56(46-59(55)71(57)49-21-15-13-16-22-49)54-44-48(28-32-58(54)72(60)50-23-17-14-18-24-50)62-36-38-68(76-62)70-42-40-66(78-70)64-34-30-52(74-64)26-20-12-10-8-6-4-2;1-3-4-5-6-7-8-9-16-21-39-29-51-53(57-39)33-49(59-51)36-23-25-45-41(28-36)43-31-46-42(30-47(43)55(45)38-19-14-11-15-20-38)40-27-35(48-32-52-50(58-48)26-34(2)56-52)22-24-44(40)54(46)37-17-12-10-13-18-37/h13-18,21-24,27-46H,3-12,19-20,25-26H2,1-2H3;10-15,17-20,22-33H,3-9,16,21H2,1-2H3.

What are the key properties of 2,8-bis[5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole;2-(2-decylthieno[3,2-b]thiophen-5-yl)-8-(2-methylthieno[3,2-b]thiophen-5-yl)-5,11-diphenylindolo[3,2-b]carbazole?

2,8-bis[5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole;2-(2-decylthieno[3,2-b]thiophen-5-yl)-8-(2-methylthieno[3,2-b]thiophen-5-yl)-5,11-diphenylindolo[3,2-b]carbazole has a molecular weight of 1964.93 g/mol, XLogP of 41.82, 35 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8-bis[5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole;2-(2-decylthieno[3,2-b]thiophen-5-yl)-8-(2-methylthieno[3,2-b]thiophen-5-yl)-5,11-diphenylindolo[3,2-b]carbazole is sourced from PubChem (CID 162081043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).