2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine

C54H30N8O4 — CID 23391318

About 2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine

2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 23391318) has the molecular formula C54H30N8O4 and a molecular weight of 854.89 g/mol. Its IUPAC name is 2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
• PubChem CID: 23391318
• Molecular Formula: C54H30N8O4
• Molecular Weight: 854.89 g/mol
• Exact Mass: 854.24
• IUPAC Name: 2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
• SMILES: c1cnc2oc(-c3ccc(-c4cc(-c5ccc(-c6nc7cccnc7o6)cc5)c(-c5ccc(-c6nc7cccnc7o6)cc5)cc4-c4ccc(-c5nc6cccnc6o5)cc4)cc3)nc2c1
• InChI: InChI=1S/C54H30N8O4/c1-5-43-51(55-25-1)63-47(59-43)35-17-9-31(10-18-35)39-29-41(33-13-21-37(22-14-33)49-61-45-7-3-27-57-53(45)65-49)42(34-15-23-38(24-16-34)50-62-46-8-4-28-58-54(46)66-50)30-40(39)32-11-19-36(20-12-32)48-60-44-6-2-26-56-52(44)64-48/h1-30H
• InChIKey: SGGPTTCZRFDLSQ-UHFFFAOYSA-N
• XLogP: 13.17
• TPSA: 155.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	854.89
LogP ≤ 5	13.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?

The IUPAC name of 2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine (CID 23391318) is 2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine.

What is the SMILES notation for 2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?

The canonical SMILES for 2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine is c1cnc2oc(-c3ccc(-c4cc(-c5ccc(-c6nc7cccnc7o6)cc5)c(-c5ccc(-c6nc7cccnc7o6)cc5)cc4-c4ccc(-c5nc6cccnc6o5)cc4)cc3)nc2c1.

What is the InChIKey of 2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?

The InChIKey is SGGPTTCZRFDLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30N8O4/c1-5-43-51(55-25-1)63-47(59-43)35-17-9-31(10-18-35)39-29-41(33-13-21-37(22-14-33)49-61-45-7-3-27-57-53(45)65-49)42(34-15-23-38(24-16-34)50-62-46-8-4-28-58-54(46)66-50)30-40(39)32-11-19-36(20-12-32)48-60-44-6-2-26-56-52(44)64-48/h1-30H.

What are the key properties of 2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?

2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 854.89 g/mol, XLogP of 13.17, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 23391318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).