6-[3-[3-[3-[3-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzothiophen-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine

C58H34N2S3 — CID 90250519

About 6-[3-[3-[3-[3-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzothiophen-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine

6-[3-[3-[3-[3-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzothiophen-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine (PubChem CID 90250519) has the molecular formula C58H34N2S3 and a molecular weight of 855.13 g/mol. Its IUPAC name is 6-[3-[3-[3-[3-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzothiophen-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 6-[3-[3-[3-[3-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzothiophen-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine
• PubChem CID: 90250519
• Molecular Formula: C58H34N2S3
• Molecular Weight: 855.13 g/mol
• Exact Mass: 854.19
• IUPAC Name: 6-[3-[3-[3-[3-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzothiophen-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine
• SMILES: c1cc(-c2cccc(-c3cccc(-c4ccc5sc6ncccc6c5c4)c3)c2)cc(-c2cccc(-c3ccc4sc5ccc(-c6ccc7sc8ncccc8c7c6)cc5c4c3)c2)c1
• InChI: InChI=1S/C58H34N2S3/c1-7-35(27-37(9-1)39-11-3-13-41(29-39)43-19-23-55-49(31-43)47-15-5-25-59-57(47)62-55)36-8-2-10-38(28-36)40-12-4-14-42(30-40)44-17-21-53-51(33-44)52-34-46(18-22-54(52)61-53)45-20-24-56-50(32-45)48-16-6-26-60-58(48)63-56/h1-34H
• InChIKey: OFCJONZYVAGMOM-UHFFFAOYSA-N
• XLogP: 17.58
• TPSA: 25.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.13
LogP ≤ 5	17.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-[3-[3-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzothiophen-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine?

The IUPAC name of 6-[3-[3-[3-[3-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzothiophen-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine (CID 90250519) is 6-[3-[3-[3-[3-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzothiophen-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine.

What is the SMILES notation for 6-[3-[3-[3-[3-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzothiophen-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine?

The canonical SMILES for 6-[3-[3-[3-[3-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzothiophen-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine is c1cc(-c2cccc(-c3cccc(-c4ccc5sc6ncccc6c5c4)c3)c2)cc(-c2cccc(-c3ccc4sc5ccc(-c6ccc7sc8ncccc8c7c6)cc5c4c3)c2)c1.

What is the InChIKey of 6-[3-[3-[3-[3-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzothiophen-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine?

The InChIKey is OFCJONZYVAGMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2S3/c1-7-35(27-37(9-1)39-11-3-13-41(29-39)43-19-23-55-49(31-43)47-15-5-25-59-57(47)62-55)36-8-2-10-38(28-36)40-12-4-14-42(30-40)44-17-21-53-51(33-44)52-34-46(18-22-54(52)61-53)45-20-24-56-50(32-45)48-16-6-26-60-58(48)63-56/h1-34H.

What are the key properties of 6-[3-[3-[3-[3-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzothiophen-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine?

6-[3-[3-[3-[3-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzothiophen-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine has a molecular weight of 855.13 g/mol, XLogP of 17.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[3-[3-[3-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzothiophen-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine is sourced from PubChem (CID 90250519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).