tetrakis(carbon dioxide);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine

C77H84N6O8S4 — CID 158619139

About tetrakis(carbon dioxide);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine

tetrakis(carbon dioxide);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine (PubChem CID 158619139) has the molecular formula C77H84N6O8S4 and a molecular weight of 1349.82 g/mol. Its IUPAC name is tetrakis(carbon dioxide);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine.

Molecular Properties

• Compound Name: tetrakis(carbon dioxide);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine
• PubChem CID: 158619139
• Molecular Formula: C77H84N6O8S4
• Molecular Weight: 1349.82 g/mol
• Exact Mass: 1348.52
• IUPAC Name: tetrakis(carbon dioxide);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine
• SMILES: CCCCCCc1cc(C)sc1-c1ccc(-c2ccnc(-c3cc(CC)cc(-c4cc(CC)ccn4)n3)c2)s1.CCCCCCc1csc(-c2sc(-c3ccnc(-c4cc(CC)cc(-c5cc(CC)ccn5)n4)c3)cc2CCCCCC)c1.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C39H47N3S2.C34H37N3S2.4CO2/c1-5-9-11-13-15-30-24-38(43-27-30)39-32(16-14-12-10-6-2)26-37(44-39)31-18-20-41-34(25-31)36-23-29(8-4)22-35(42-36)33-21-28(7-3)17-19-40-33;1-5-8-9-10-11-27-18-23(4)38-34(27)33-13-12-32(39-33)26-15-17-36-29(22-26)31-21-25(7-3)20-30(37-31)28-19-24(6-2)14-16-35-28;4*2-1-3/h17-27H,5-16H2,1-4H3;12-22H,5-11H2,1-4H3
• InChIKey: HXTUIZIGCAVQMK-UHFFFAOYSA-N
• XLogP: 19.92
• TPSA: 213.90 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 27
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1349.82
LogP ≤ 5	19.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(carbon dioxide);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine?

The IUPAC name of tetrakis(carbon dioxide);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine (CID 158619139) is tetrakis(carbon dioxide);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine.

What is the SMILES notation for tetrakis(carbon dioxide);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine?

The canonical SMILES for tetrakis(carbon dioxide);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine is CCCCCCc1cc(C)sc1-c1ccc(-c2ccnc(-c3cc(CC)cc(-c4cc(CC)ccn4)n3)c2)s1.CCCCCCc1csc(-c2sc(-c3ccnc(-c4cc(CC)cc(-c5cc(CC)ccn5)n4)c3)cc2CCCCCC)c1.O=C=O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of tetrakis(carbon dioxide);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine?

The InChIKey is HXTUIZIGCAVQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H47N3S2.C34H37N3S2.4CO2/c1-5-9-11-13-15-30-24-38(43-27-30)39-32(16-14-12-10-6-2)26-37(44-39)31-18-20-41-34(25-31)36-23-29(8-4)22-35(42-36)33-21-28(7-3)17-19-40-33;1-5-8-9-10-11-27-18-23(4)38-34(27)33-13-12-32(39-33)26-15-17-36-29(22-26)31-21-25(7-3)20-30(37-31)28-19-24(6-2)14-16-35-28;4*2-1-3/h17-27H,5-16H2,1-4H3;12-22H,5-11H2,1-4H3;;;;.

What are the key properties of tetrakis(carbon dioxide);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine?

tetrakis(carbon dioxide);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine has a molecular weight of 1349.82 g/mol, XLogP of 19.92, 27 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(carbon dioxide);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine is sourced from PubChem (CID 158619139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).