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

C60H30N12O6 — CID 23391281

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

2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 23391281) has the molecular formula C60H30N12O6 and a molecular weight of 1014.98 g/mol. Its IUPAC name is 2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
• PubChem CID: 23391281
• Molecular Formula: C60H30N12O6
• Molecular Weight: 1014.98 g/mol
• Exact Mass: 1014.24
• IUPAC Name: 2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
• SMILES: c1cnc2oc(-c3cc(-c4cc(-c5cc(-c6nc7cccnc7o6)cc(-c6nc7cccnc7o6)c5)cc(-c5cc(-c6nc7cccnc7o6)cc(-c6nc7cccnc7o6)c5)c4)cc(-c4nc5cccnc5o4)c3)nc2c1
• InChI: InChI=1S/C60H30N12O6/c1-7-43-55(61-13-1)73-49(67-43)37-22-34(23-38(28-37)50-68-44-8-2-14-62-56(44)74-50)31-19-32(35-24-39(51-69-45-9-3-15-63-57(45)75-51)29-40(25-35)52-70-46-10-4-16-64-58(46)76-52)21-33(20-31)36-26-41(53-71-47-11-5-17-65-59(47)77-53)30-42(27-36)54-72-48-12-6-18-66-60(48)78-54/h1-30H
• InChIKey: PCXDSFNIWVGOMT-UHFFFAOYSA-N
• XLogP: 13.91
• TPSA: 233.52 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1014.98
LogP ≤ 5	13.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine (CID 23391281) is 2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine.

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

The canonical SMILES for 2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine is c1cnc2oc(-c3cc(-c4cc(-c5cc(-c6nc7cccnc7o6)cc(-c6nc7cccnc7o6)c5)cc(-c5cc(-c6nc7cccnc7o6)cc(-c6nc7cccnc7o6)c5)c4)cc(-c4nc5cccnc5o4)c3)nc2c1.

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

The InChIKey is PCXDSFNIWVGOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H30N12O6/c1-7-43-55(61-13-1)73-49(67-43)37-22-34(23-38(28-37)50-68-44-8-2-14-62-56(44)74-50)31-19-32(35-24-39(51-69-45-9-3-15-63-57(45)75-51)29-40(25-35)52-70-46-10-4-16-64-58(46)76-52)21-33(20-31)36-26-41(53-71-47-11-5-17-65-59(47)77-53)30-42(27-36)54-72-48-12-6-18-66-60(48)78-54/h1-30H.

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

2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 1014.98 g/mol, XLogP of 13.91, 9 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 23391281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).