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

C29H18FNO — CID 171056538

IUPAC2-[6-[4-(3-fluorophenyl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
SMILESFc1cccc(-c2ccc(-c3ccc4cc(-c5nc6ccccc6o5)ccc4c3)cc2)c1
InChIInChI=1S/C29H18FNO/c30-26-5-3-4-21(18-26)19-8-10-20(11-9-19)22-12-13-24-17-25(15-14-23(24)16-22)29-31-27-6-1-2-7-28(27)32-29/h1-18H
InChIKeyPZIZEDGOLJEEDA-UHFFFAOYSA-N
MW415.47 g/mol
LogP8.12
Rot. Bonds3

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

2-[6-[4-(3-fluorophenyl)phenyl]naphthalen-2-yl]-1,3-benzoxazole (PubChem CID 171056538) has the molecular formula C29H18FNO and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-[6-[4-(3-fluorophenyl)phenyl]naphthalen-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-[4-(3-fluorophenyl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
PubChem CID171056538
Molecular FormulaC29H18FNO
Molecular Weight415.47 g/mol
Exact Mass415.14
IUPAC Name2-[6-[4-(3-fluorophenyl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
SMILESFc1cccc(-c2ccc(-c3ccc4cc(-c5nc6ccccc6o5)ccc4c3)cc2)c1
InChIInChI=1S/C29H18FNO/c30-26-5-3-4-21(18-26)19-8-10-20(11-9-19)22-12-13-24-17-25(15-14-23(24)16-22)29-31-27-6-1-2-7-28(27)32-29/h1-18H
InChIKeyPZIZEDGOLJEEDA-UHFFFAOYSA-N
XLogP8.12
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
CID 171056346
4-[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]phenol
CID 155757362
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1,3-benzoxazole
CID 70830032
2-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681660
2-(3-fluorophenyl)-6-[[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]oxy]-1,3-benzoxazole
CID 141185714
[3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056408
2-[3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 171056439
2-[4-[6-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 170046632
2-(3-fluorophenyl)-5-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]sulfanyl]-1,3-benzoxazole
CID 141112890
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681641
2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(3-fluorophenyl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[6-[4-(3-fluorophenyl)phenyl]naphthalen-2-yl]-1,3-benzoxazole (CID 171056538) is 2-[6-[4-(3-fluorophenyl)phenyl]naphthalen-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-[4-(3-fluorophenyl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-[4-(3-fluorophenyl)phenyl]naphthalen-2-yl]-1,3-benzoxazole is Fc1cccc(-c2ccc(-c3ccc4cc(-c5nc6ccccc6o5)ccc4c3)cc2)c1.
What is the InChIKey of 2-[6-[4-(3-fluorophenyl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
The InChIKey is PZIZEDGOLJEEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18FNO/c30-26-5-3-4-21(18-26)19-8-10-20(11-9-19)22-12-13-24-17-25(15-14-23(24)16-22)29-31-27-6-1-2-7-28(27)32-29/h1-18H.
What are the key properties of 2-[6-[4-(3-fluorophenyl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
2-[6-[4-(3-fluorophenyl)phenyl]naphthalen-2-yl]-1,3-benzoxazole has a molecular weight of 415.47 g/mol, XLogP of 8.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(3-fluorophenyl)phenyl]naphthalen-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 171056538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).