4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-6-pyridin-3-yl-1,3-benzoxazole

C39H25N5O — CID 153310215

IUPAC4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-6-pyridin-3-yl-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccnc5)cc5oc(-c6ccccc6)nc45)c3)n2)cc1
InChIInChI=1S/C39H25N5O/c1-4-12-26(13-5-1)36-42-37(27-14-6-2-7-15-27)44-38(43-36)30-19-10-18-29(22-30)33-23-32(31-20-11-21-40-25-31)24-34-35(33)41-39(45-34)28-16-8-3-9-17-28/h1-25H
InChIKeyQSUJEVROQNXMTC-UHFFFAOYSA-N
MW579.66 g/mol
LogP9.41
Rot. Bonds6

About 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-6-pyridin-3-yl-1,3-benzoxazole

4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-6-pyridin-3-yl-1,3-benzoxazole (PubChem CID 153310215) has the molecular formula C39H25N5O and a molecular weight of 579.66 g/mol. Its IUPAC name is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-6-pyridin-3-yl-1,3-benzoxazole.

Molecular Properties

Compound Name4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-6-pyridin-3-yl-1,3-benzoxazole
PubChem CID153310215
Molecular FormulaC39H25N5O
Molecular Weight579.66 g/mol
Exact Mass579.21
IUPAC Name4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-6-pyridin-3-yl-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccnc5)cc5oc(-c6ccccc6)nc45)c3)n2)cc1
InChIInChI=1S/C39H25N5O/c1-4-12-26(13-5-1)36-42-37(27-14-6-2-7-15-27)44-38(43-36)30-19-10-18-29(22-30)33-23-32(31-20-11-21-40-25-31)24-34-35(33)41-39(45-34)28-16-8-3-9-17-28/h1-25H
InChIKeyQSUJEVROQNXMTC-UHFFFAOYSA-N
XLogP9.41
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.66
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-4-(3-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole
CID 137473260
2-(4-pyridin-3-ylphenyl)-4,6-di(triphenylen-2-yl)-1,3-benzoxazole
CID 137473248
4,6-bis(4-naphthalen-1-ylphenyl)-2-[3-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole
CID 137473226
2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 165168264
2-(4-carbazol-9-ylphenyl)-6-(3-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-4,6-dipyridin-3-yl-1,3-benzoxazole;2-(2,6-diphenylpyrimidin-4-yl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;6-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-1,3-benzoxazole
CID 159949573
2-phenyl-6-[4-(2-phenyl-1,3-benzoxazol-6-yl)-6-[4-[6-(4-pyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 171761143
2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine
CID 118344700
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphthalen-1-yl-2-phenyl-1,3-benzoxazole
CID 153310365
2-(4-naphthalen-2-ylphenyl)-6-phenanthren-9-yl-4-(4-pyridin-3-ylphenyl)-1,3-benzoxazole
CID 137473254
2-[2,6-di(cyclohexa-2,4-dien-1-yl)pyrimidin-4-yl]-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3-benzoxazole
CID 155416684
6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-yl-2-phenyl-1,3-benzoxazole
CID 153310394
2-[3,5-di(dibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130263357

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-6-pyridin-3-yl-1,3-benzoxazole?
The IUPAC name of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-6-pyridin-3-yl-1,3-benzoxazole (CID 153310215) is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-6-pyridin-3-yl-1,3-benzoxazole.
What is the SMILES notation for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-6-pyridin-3-yl-1,3-benzoxazole?
The canonical SMILES for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-6-pyridin-3-yl-1,3-benzoxazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccnc5)cc5oc(-c6ccccc6)nc45)c3)n2)cc1.
What is the InChIKey of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-6-pyridin-3-yl-1,3-benzoxazole?
The InChIKey is QSUJEVROQNXMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N5O/c1-4-12-26(13-5-1)36-42-37(27-14-6-2-7-15-27)44-38(43-36)30-19-10-18-29(22-30)33-23-32(31-20-11-21-40-25-31)24-34-35(33)41-39(45-34)28-16-8-3-9-17-28/h1-25H.
What are the key properties of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-6-pyridin-3-yl-1,3-benzoxazole?
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-6-pyridin-3-yl-1,3-benzoxazole has a molecular weight of 579.66 g/mol, XLogP of 9.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-6-pyridin-3-yl-1,3-benzoxazole is sourced from PubChem (CID 153310215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).