5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole

C51H33N3O — CID 174333735

IUPAC5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3cccc(-c4c(-c5cccc(-c6ccc7oc(-c8ccccc8)nc7c6)c5)ccc5ccccc45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C51H33N3O/c1-4-15-35(16-5-1)45-33-46(53-50(52-45)36-17-6-2-7-18-36)41-23-13-24-42(31-41)49-43-25-11-10-14-34(43)26-28-44(49)40-22-12-21-38(30-40)39-27-29-48-47(32-39)54-51(55-48)37-19-8-3-9-20-37/h1-33H
InChIKeyYRESTWFZILTGSY-UHFFFAOYSA-N
MW703.85 g/mol
LogP13.44
Rot. Bonds7

About 5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole

5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole (PubChem CID 174333735) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
PubChem CID174333735
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC Name5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3cccc(-c4c(-c5cccc(-c6ccc7oc(-c8ccccc8)nc7c6)c5)ccc5ccccc45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C51H33N3O/c1-4-15-35(16-5-1)45-33-46(53-50(52-45)36-17-6-2-7-18-36)41-23-13-24-42(31-41)49-43-25-11-10-14-34(43)26-28-44(49)40-22-12-21-38(30-40)39-27-29-48-47(32-39)54-51(55-48)37-19-8-3-9-20-37/h1-33H
InChIKeyYRESTWFZILTGSY-UHFFFAOYSA-N
XLogP13.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole
CID 174332746
2-phenyl-5-[3-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
CID 174333729
2-phenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-1,3-benzoxazole
CID 153310290
5-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 174334557
5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole
CID 174333209
5-[3-[2-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2-methyl-1,3-benzoxazole
CID 174334084
2-ethyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 158147342
2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine
CID 155416651
2-ethyl-5-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[2-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1,3-benzoxazole
CID 158121328
2-phenyl-6-[1-[4-(6-phenylpyridazin-3-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
CID 174333028
2-phenyl-6-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 153017614
2-[1-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277694

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole?
The IUPAC name of 5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole (CID 174333735) is 5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole is c1ccc(-c2cc(-c3cccc(-c4c(-c5cccc(-c6ccc7oc(-c8ccccc8)nc7c6)c5)ccc5ccccc45)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole?
The InChIKey is YRESTWFZILTGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-4-15-35(16-5-1)45-33-46(53-50(52-45)36-17-6-2-7-18-36)41-23-13-24-42(31-41)49-43-25-11-10-14-34(43)26-28-44(49)40-22-12-21-38(30-40)39-27-29-48-47(32-39)54-51(55-48)37-19-8-3-9-20-37/h1-33H.
What are the key properties of 5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole?
5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole has a molecular weight of 703.85 g/mol, XLogP of 13.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 174333735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).