6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole

C40H26N2O — CID 149428077

IUPAC6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-c3ccc(-c4nc5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5o4)cc3)c2)nc1
InChIInChI=1S/C40H26N2O/c1-2-11-35-29(7-1)8-6-12-36(35)30-18-14-28(15-19-30)33-22-23-38-39(26-33)43-40(42-38)31-20-16-27(17-21-31)32-9-5-10-34(25-32)37-13-3-4-24-41-37/h1-26H
InChIKeyYUMVLRGHQOQGGD-UHFFFAOYSA-N
MW550.66 g/mol
LogP10.71
Rot. Bonds5

About 6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole

6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole (PubChem CID 149428077) has the molecular formula C40H26N2O and a molecular weight of 550.66 g/mol. Its IUPAC name is 6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole
PubChem CID149428077
Molecular FormulaC40H26N2O
Molecular Weight550.66 g/mol
Exact Mass550.20
IUPAC Name6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-c3ccc(-c4nc5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5o4)cc3)c2)nc1
InChIInChI=1S/C40H26N2O/c1-2-11-35-29(7-1)8-6-12-36(35)30-18-14-28(15-19-30)33-22-23-38-39(26-33)43-40(42-38)31-20-16-27(17-21-31)32-9-5-10-34(25-32)37-13-3-4-24-41-37/h1-26H
InChIKeyYUMVLRGHQOQGGD-UHFFFAOYSA-N
XLogP10.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.66
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole
CID 149079954
2,7-bis(4-naphthalen-1-ylphenyl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 169314088
6-(4-phenanthren-9-ylphenyl)-2-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole
CID 137473475
2-[3-benzo[h]quinolin-5-yl-5-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole
CID 58480084
6-pyridin-4-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142329421
2-phenyl-6-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3-benzoxazole
CID 164758438
2-phenyl-6-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 153017614
5-phenyl-2-pyridin-2-yl-1,3-benzoxazole
CID 132598032
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
9-[4-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764262
2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 153285437
2-[4-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]naphthalen-1-yl]-1,3-benzoxazole;2-[5-[4-[2-[4-[5-(1,3-benzoxazol-2-yl)naphthalen-1-yl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]naphthalen-1-yl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-6-pyridin-2-yl-3-pyridinyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[2-[6-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-yl]-6-pyridin-2-yl-3-pyridinyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
CID 161211421

Frequently Asked Questions

What is the IUPAC name of 6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole?
The IUPAC name of 6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole (CID 149428077) is 6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole is c1ccc(-c2cccc(-c3ccc(-c4nc5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5o4)cc3)c2)nc1.
What is the InChIKey of 6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole?
The InChIKey is YUMVLRGHQOQGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2O/c1-2-11-35-29(7-1)8-6-12-36(35)30-18-14-28(15-19-30)33-22-23-38-39(26-33)43-40(42-38)31-20-16-27(17-21-31)32-9-5-10-34(25-32)37-13-3-4-24-41-37/h1-26H.
What are the key properties of 6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole?
6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole has a molecular weight of 550.66 g/mol, XLogP of 10.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 149428077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).