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

C60H36N6O — CID 71104995

IUPAC2-[3,5-bis(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESc1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-c4cc(-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)cc(-c5nc6ncccc6o5)c4)n3)cccc2c1
InChIInChI=1S/C60H36N6O/c1-5-22-44-37(14-1)18-9-26-48(44)52-35-53(49-27-10-19-38-15-2-6-23-45(38)49)63-57(62-52)41-32-42(34-43(33-41)60-66-59-56(67-60)30-13-31-61-59)58-64-54(50-28-11-20-39-16-3-7-24-46(39)50)36-55(65-58)51-29-12-21-40-17-4-8-25-47(40)51/h1-36H
InChIKeyDDVDJQQWCCIZLW-UHFFFAOYSA-N
MW856.99 g/mol
LogP15.08
Rot. Bonds7

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

2-[3,5-bis(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 71104995) has the molecular formula C60H36N6O and a molecular weight of 856.99 g/mol. Its IUPAC name is 2-[3,5-bis(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3,5-bis(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
PubChem CID71104995
Molecular FormulaC60H36N6O
Molecular Weight856.99 g/mol
Exact Mass856.30
IUPAC Name2-[3,5-bis(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESc1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-c4cc(-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)cc(-c5nc6ncccc6o5)c4)n3)cccc2c1
InChIInChI=1S/C60H36N6O/c1-5-22-44-37(14-1)18-9-26-48(44)52-35-53(49-27-10-19-38-15-2-6-23-45(38)49)63-57(62-52)41-32-42(34-43(33-41)60-66-59-56(67-60)30-13-31-61-59)58-64-54(50-28-11-20-39-16-3-7-24-46(39)50)36-55(65-58)51-29-12-21-40-17-4-8-25-47(40)51/h1-36H
InChIKeyDDVDJQQWCCIZLW-UHFFFAOYSA-N
XLogP15.08
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.99
LogP ≤ 515.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
CID 71104990
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(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(6-phenyl-2-quinolin-8-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
CID 71105044
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
ethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine
CID 91297789
1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 159845320
N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]naphthalene-1-carboxamide
CID 17336612
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
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine
CID 22754802

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-[3,5-bis(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine (CID 71104995) is 2-[3,5-bis(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[3,5-bis(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-[3,5-bis(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine is c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-c4cc(-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)cc(-c5nc6ncccc6o5)c4)n3)cccc2c1.
What is the InChIKey of 2-[3,5-bis(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is DDVDJQQWCCIZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N6O/c1-5-22-44-37(14-1)18-9-26-48(44)52-35-53(49-27-10-19-38-15-2-6-23-45(38)49)63-57(62-52)41-32-42(34-43(33-41)60-66-59-56(67-60)30-13-31-61-59)58-64-54(50-28-11-20-39-16-3-7-24-46(39)50)36-55(65-58)51-29-12-21-40-17-4-8-25-47(40)51/h1-36H.
What are the key properties of 2-[3,5-bis(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine?
2-[3,5-bis(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 856.99 g/mol, XLogP of 15.08, 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(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 71104995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).