2-(3,5-diphenylphenyl)-1,3-benzoxazole

C25H17NO — CID 134237405

IUPAC2-(3,5-diphenylphenyl)-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc4ccccc4o3)c2)cc1
InChIInChI=1S/C25H17NO/c1-3-9-18(10-4-1)20-15-21(19-11-5-2-6-12-19)17-22(16-20)25-26-23-13-7-8-14-24(23)27-25/h1-17H
InChIKeyIKCBZCHDRXMQAZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP6.83
Rot. Bonds3

About 2-(3,5-diphenylphenyl)-1,3-benzoxazole

2-(3,5-diphenylphenyl)-1,3-benzoxazole (PubChem CID 134237405) has the molecular formula C25H17NO and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3,5-diphenylphenyl)-1,3-benzoxazole
PubChem CID134237405
Molecular FormulaC25H17NO
Molecular Weight347.42 g/mol
Exact Mass347.13
IUPAC Name2-(3,5-diphenylphenyl)-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc4ccccc4o3)c2)cc1
InChIInChI=1S/C25H17NO/c1-3-9-18(10-4-1)20-15-21(19-11-5-2-6-12-19)17-22(16-20)25-26-23-13-7-8-14-24(23)27-25/h1-17H
InChIKeyIKCBZCHDRXMQAZ-UHFFFAOYSA-N
XLogP6.83
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.42
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole
CID 129148229
2-[3-(1,3-benzoxazol-2-yl)-5-[4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 176740351
3,5-bis(1,3-benzoxazol-2-yl)phenol
CID 17341213
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681641
2-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681660
2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
CID 171056346
2-[3,5-bis[3,5-di(quinolin-3-yl)phenyl]phenyl]-1,3-benzoxazole
CID 58479999
2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 23722944
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzoxazole
CID 157124989
2-(3,4,5-trichlorophenyl)-1,3-benzoxazole
CID 50849649

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-1,3-benzoxazole?
The IUPAC name of 2-(3,5-diphenylphenyl)-1,3-benzoxazole (CID 134237405) is 2-(3,5-diphenylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3,5-diphenylphenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(3,5-diphenylphenyl)-1,3-benzoxazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc4ccccc4o3)c2)cc1.
What is the InChIKey of 2-(3,5-diphenylphenyl)-1,3-benzoxazole?
The InChIKey is IKCBZCHDRXMQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO/c1-3-9-18(10-4-1)20-15-21(19-11-5-2-6-12-19)17-22(16-20)25-26-23-13-7-8-14-24(23)27-25/h1-17H.
What are the key properties of 2-(3,5-diphenylphenyl)-1,3-benzoxazole?
2-(3,5-diphenylphenyl)-1,3-benzoxazole has a molecular weight of 347.42 g/mol, XLogP of 6.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 134237405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).