[2-[4-formyloxy-6-[4-(5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(5-thiophen-2-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate

C56H30N6O8S7 — CID 159122471

About [2-[4-formyloxy-6-[4-(5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(5-thiophen-2-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate

[2-[4-formyloxy-6-[4-(5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(5-thiophen-2-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate (PubChem CID 159122471) has the molecular formula C56H30N6O8S7 and a molecular weight of 1139.36 g/mol. Its IUPAC name is [2-[4-formyloxy-6-[4-(5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(5-thiophen-2-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate.

Molecular Properties

• Compound Name: [2-[4-formyloxy-6-[4-(5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(5-thiophen-2-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate
• PubChem CID: 159122471
• Molecular Formula: C56H30N6O8S7
• Molecular Weight: 1139.36 g/mol
• Exact Mass: 1138.02
• IUPAC Name: [2-[4-formyloxy-6-[4-(5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(5-thiophen-2-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate
• SMILES: O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(-c4cc5sc(-c6cc7sccc7s6)cc5s4)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(-c4cc5sc(-c6cccs6)cc5s4)ccn3)n2)c1
• InChI: InChI=1S/C29H15N3O4S4.C27H15N3O4S3/c33-14-35-17-2-5-31-20(8-17)22-10-18(36-15-34)9-21(32-22)19-7-16(1-4-30-19)24-11-26-28(39-24)13-29(40-26)27-12-25-23(38-27)3-6-37-25;31-14-33-17-4-6-29-20(9-17)22-11-18(34-15-32)10-21(30-22)19-8-16(3-5-28-19)24-12-26-27(36-24)13-25(37-26)23-2-1-7-35-23/h1-15H;1-15H
• InChIKey: KFWDRDKIEFHXRF-UHFFFAOYSA-N
• XLogP: 15.11
• TPSA: 182.54 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1139.36
LogP ≤ 5	15.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[4-formyloxy-6-[4-(5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(5-thiophen-2-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate?

The IUPAC name of [2-[4-formyloxy-6-[4-(5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(5-thiophen-2-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate (CID 159122471) is [2-[4-formyloxy-6-[4-(5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(5-thiophen-2-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate.

What is the SMILES notation for [2-[4-formyloxy-6-[4-(5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(5-thiophen-2-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate?

The canonical SMILES for [2-[4-formyloxy-6-[4-(5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(5-thiophen-2-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate is O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(-c4cc5sc(-c6cc7sccc7s6)cc5s4)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(-c4cc5sc(-c6cccs6)cc5s4)ccn3)n2)c1.

What is the InChIKey of [2-[4-formyloxy-6-[4-(5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(5-thiophen-2-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate?

The InChIKey is KFWDRDKIEFHXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H15N3O4S4.C27H15N3O4S3/c33-14-35-17-2-5-31-20(8-17)22-10-18(36-15-34)9-21(32-22)19-7-16(1-4-30-19)24-11-26-28(39-24)13-29(40-26)27-12-25-23(38-27)3-6-37-25;31-14-33-17-4-6-29-20(9-17)22-11-18(34-15-32)10-21(30-22)19-8-16(3-5-28-19)24-12-26-27(36-24)13-25(37-26)23-2-1-7-35-23/h1-15H;1-15H.

What are the key properties of [2-[4-formyloxy-6-[4-(5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(5-thiophen-2-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate?

[2-[4-formyloxy-6-[4-(5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(5-thiophen-2-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate has a molecular weight of 1139.36 g/mol, XLogP of 15.11, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-formyloxy-6-[4-(5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-(5-thiophen-2-ylthieno[3,2-b]thiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate is sourced from PubChem (CID 159122471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).