2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine

C52H32N6O — CID 71104990

IUPAC2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5cccc6ccccc56)n4)cc(-c4nc5ncccc5o4)c3)n2)cc1
InChIInChI=1S/C52H32N6O/c1-3-16-35(17-4-1)44-31-46(42-24-11-20-33-14-7-9-22-40(33)42)56-49(54-44)37-28-38(30-39(29-37)52-58-51-48(59-52)26-13-27-53-51)50-55-45(36-18-5-2-6-19-36)32-47(57-50)43-25-12-21-34-15-8-10-23-41(34)43/h1-32H
InChIKeyJRBOVFOIJVCWNX-UHFFFAOYSA-N
MW756.87 g/mol
LogP12.78
Rot. Bonds7

About 2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine

2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 71104990) has the molecular formula C52H32N6O and a molecular weight of 756.87 g/mol. Its IUPAC name is 2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
PubChem CID71104990
Molecular FormulaC52H32N6O
Molecular Weight756.87 g/mol
Exact Mass756.26
IUPAC Name2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5cccc6ccccc56)n4)cc(-c4nc5ncccc5o4)c3)n2)cc1
InChIInChI=1S/C52H32N6O/c1-3-16-35(17-4-1)44-31-46(42-24-11-20-33-14-7-9-22-40(33)42)56-49(54-44)37-28-38(30-39(29-37)52-58-51-48(59-52)26-13-27-53-51)50-55-45(36-18-5-2-6-19-36)32-47(57-50)43-25-12-21-34-15-8-10-23-41(34)43/h1-32H
InChIKeyJRBOVFOIJVCWNX-UHFFFAOYSA-N
XLogP12.78
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.87
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3,5-bis(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
CID 71104995
2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]benzo[e][1,3]benzoxazole;2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenanthro[9,10-d][1,3]oxazole
CID 161176357
2-[3,5-bis(6-phenyl-2-quinolin-8-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
CID 71105044
2-[3,5-bis(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline
CID 89279878
2-[3,5-bis(2,6-dinaphthalen-1-yl-4-pyridinyl)phenyl]benzo[e][1,3]benzoxazole;2-[3,5-bis(2,6-dinaphthalen-1-yl-4-pyridinyl)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[3,5-bis(2,6-dinaphthalen-1-yl-4-pyridinyl)phenyl]phenanthro[9,10-d][1,3]oxazole
CID 158881737
2-[3,5-bis(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]benzo[e][1,3]benzoxazole;2-[3,5-bis(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[3,5-bis(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]phenanthro[9,10-d][1,3]oxazole
CID 159510993
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
2-[3,5-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole;2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1,3-benzoxazole
CID 158483415
ethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine
CID 91297789
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 130262741
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
CID 171583764
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
CID 171585490

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine (CID 71104990) is 2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine is c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5cccc6ccccc56)n4)cc(-c4nc5ncccc5o4)c3)n2)cc1.
What is the InChIKey of 2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is JRBOVFOIJVCWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N6O/c1-3-16-35(17-4-1)44-31-46(42-24-11-20-33-14-7-9-22-40(33)42)56-49(54-44)37-28-38(30-39(29-37)52-58-51-48(59-52)26-13-27-53-51)50-55-45(36-18-5-2-6-19-36)32-47(57-50)43-25-12-21-34-15-8-10-23-41(34)43/h1-32H.
What are the key properties of 2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine?
2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 756.87 g/mol, XLogP of 12.78, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 71104990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).