6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole

C29H19N3O — CID 147790794

IUPAC6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3ccc4nc(-c5ccccc5)oc4c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C29H19N3O/c1-4-10-20(11-5-1)25-19-26(31-28(30-25)21-12-6-2-7-13-21)23-16-17-24-27(18-23)33-29(32-24)22-14-8-3-9-15-22/h1-19H
InChIKeyHJPFGJRYTIMNIS-UHFFFAOYSA-N
MW425.49 g/mol
LogP7.29
Rot. Bonds4

About 6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole

6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole (PubChem CID 147790794) has the molecular formula C29H19N3O and a molecular weight of 425.49 g/mol. Its IUPAC name is 6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole
PubChem CID147790794
Molecular FormulaC29H19N3O
Molecular Weight425.49 g/mol
Exact Mass425.15
IUPAC Name6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3ccc4nc(-c5ccccc5)oc4c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C29H19N3O/c1-4-10-20(11-5-1)25-19-26(31-28(30-25)21-12-6-2-7-13-21)23-16-17-24-27(18-23)33-29(32-24)22-14-8-3-9-15-22/h1-19H
InChIKeyHJPFGJRYTIMNIS-UHFFFAOYSA-N
XLogP7.29
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-6-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 153017614
2-phenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole
CID 153310091
2-[4-[6-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 170046632
2-phenyl-6-[9-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluoren-9-yl]-1,3-benzoxazole
CID 146581854
6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole
CID 170716750
2-phenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-1,3-benzoxazole
CID 153310290
6-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 171756611
6-phenyl-2-[4-[(E)-2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
CID 23146226
6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
CID 68836717
2-phenyl-4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 147571210
2-phenyl-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 146719610
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681641

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole?
The IUPAC name of 6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole (CID 147790794) is 6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole is c1ccc(-c2cc(-c3ccc4nc(-c5ccccc5)oc4c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole?
The InChIKey is HJPFGJRYTIMNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3O/c1-4-10-20(11-5-1)25-19-26(31-28(30-25)21-12-6-2-7-13-21)23-16-17-24-27(18-23)33-29(32-24)22-14-8-3-9-15-22/h1-19H.
What are the key properties of 6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole?
6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole has a molecular weight of 425.49 g/mol, XLogP of 7.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 147790794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).