2-[3,5-bis[2,6-di(quinolin-3-yl)-4-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]pyridine

C58H34N8O — CID 71104969

IUPAC2-[3,5-bis[2,6-di(quinolin-3-yl)-4-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESc1ccc2ncc(-c3cc(-c4cc(-c5cc(-c6cnc7ccccc7c6)nc(-c6cnc7ccccc7c6)c5)cc(-c5nc6ncccc6o5)c4)cc(-c4cnc5ccccc5c4)n3)cc2c1
InChIInChI=1S/C58H34N8O/c1-5-14-48-35(10-1)20-44(31-60-48)52-27-41(28-53(64-52)45-21-36-11-2-6-15-49(36)61-32-45)39-24-40(26-43(25-39)58-66-57-56(67-58)18-9-19-59-57)42-29-54(46-22-37-12-3-7-16-50(37)62-33-46)65-55(30-42)47-23-38-13-4-8-17-51(38)63-34-47/h1-34H
InChIKeyQXUDYJAVCPNVJQ-UHFFFAOYSA-N
MW858.97 g/mol
LogP13.87
Rot. Bonds7

About 2-[3,5-bis[2,6-di(quinolin-3-yl)-4-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]pyridine

2-[3,5-bis[2,6-di(quinolin-3-yl)-4-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 71104969) has the molecular formula C58H34N8O and a molecular weight of 858.97 g/mol. Its IUPAC name is 2-[3,5-bis[2,6-di(quinolin-3-yl)-4-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3,5-bis[2,6-di(quinolin-3-yl)-4-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]pyridine
PubChem CID71104969
Molecular FormulaC58H34N8O
Molecular Weight858.97 g/mol
Exact Mass858.29
IUPAC Name2-[3,5-bis[2,6-di(quinolin-3-yl)-4-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESc1ccc2ncc(-c3cc(-c4cc(-c5cc(-c6cnc7ccccc7c6)nc(-c6cnc7ccccc7c6)c5)cc(-c5nc6ncccc6o5)c4)cc(-c4cnc5ccccc5c4)n3)cc2c1
InChIInChI=1S/C58H34N8O/c1-5-14-48-35(10-1)20-44(31-60-48)52-27-41(28-53(64-52)45-21-36-11-2-6-15-49(36)61-32-45)39-24-40(26-43(25-39)58-66-57-56(67-58)18-9-19-59-57)42-29-54(46-22-37-12-3-7-16-50(37)62-33-46)65-55(30-42)47-23-38-13-4-8-17-51(38)63-34-47/h1-34H
InChIKeyQXUDYJAVCPNVJQ-UHFFFAOYSA-N
XLogP13.87
TPSA116.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.97
LogP ≤ 513.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[2,6-di(quinolin-3-yl)-4-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-[3,5-bis[2,6-di(quinolin-3-yl)-4-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]pyridine (CID 71104969) is 2-[3,5-bis[2,6-di(quinolin-3-yl)-4-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[3,5-bis[2,6-di(quinolin-3-yl)-4-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-[3,5-bis[2,6-di(quinolin-3-yl)-4-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]pyridine is c1ccc2ncc(-c3cc(-c4cc(-c5cc(-c6cnc7ccccc7c6)nc(-c6cnc7ccccc7c6)c5)cc(-c5nc6ncccc6o5)c4)cc(-c4cnc5ccccc5c4)n3)cc2c1.
What is the InChIKey of 2-[3,5-bis[2,6-di(quinolin-3-yl)-4-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is QXUDYJAVCPNVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N8O/c1-5-14-48-35(10-1)20-44(31-60-48)52-27-41(28-53(64-52)45-21-36-11-2-6-15-49(36)61-32-45)39-24-40(26-43(25-39)58-66-57-56(67-58)18-9-19-59-57)42-29-54(46-22-37-12-3-7-16-50(37)62-33-46)65-55(30-42)47-23-38-13-4-8-17-51(38)63-34-47/h1-34H.
What are the key properties of 2-[3,5-bis[2,6-di(quinolin-3-yl)-4-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]pyridine?
2-[3,5-bis[2,6-di(quinolin-3-yl)-4-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 858.97 g/mol, XLogP of 13.87, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[2,6-di(quinolin-3-yl)-4-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 71104969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).