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

C38H24N2O — CID 174332912

IUPAC4-[1-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3ccccc3-c3c(-c4cccc5ocnc45)ccc4ccccc34)nc3ccccc23)cc1
InChIInChI=1S/C38H24N2O/c1-2-11-25(12-3-1)33-23-35(40-34-19-9-8-16-29(33)34)28-15-6-7-17-30(28)37-27-14-5-4-13-26(27)21-22-31(37)32-18-10-20-36-38(32)39-24-41-36/h1-24H
InChIKeyQGXADMKTPOTHLY-UHFFFAOYSA-N
MW524.62 g/mol
LogP10.20
Rot. Bonds4

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

4-[1-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole (PubChem CID 174332912) has the molecular formula C38H24N2O and a molecular weight of 524.62 g/mol. Its IUPAC name is 4-[1-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name4-[1-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
PubChem CID174332912
Molecular FormulaC38H24N2O
Molecular Weight524.62 g/mol
Exact Mass524.19
IUPAC Name4-[1-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3ccccc3-c3c(-c4cccc5ocnc45)ccc4ccccc34)nc3ccccc23)cc1
InChIInChI=1S/C38H24N2O/c1-2-11-25(12-3-1)33-23-35(40-34-19-9-8-16-29(33)34)28-15-6-7-17-30(28)37-27-14-5-4-13-26(27)21-22-31(37)32-18-10-20-36-38(32)39-24-41-36/h1-24H
InChIKeyQGXADMKTPOTHLY-UHFFFAOYSA-N
XLogP10.20
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.62
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-[1-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
CID 174333584
4-phenyl-2-[2-[10-(3-pyren-1-ylphenyl)anthracen-9-yl]phenyl]quinoline
CID 118261958
5-[2-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-1-yl]-2-pyridin-2-yl-1,3-benzoxazole
CID 174333362
2,4-bis(4-phenylnaphthalen-1-yl)quinoline
CID 146334508
2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene
CID 166133941
2,5-bis(4-phenylnaphthalen-1-yl)quinoline
CID 163839918
6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole
CID 174333593
4-[2-[2-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dinaphthalen-1-ylphenyl]phenyl]-2,6-diphenylpyrimidine
CID 170025705
5-[1-[4-(3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
CID 174332890
2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylnaphthalen-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 155481384
4-(4-fluorophenyl)-1,3-benzoxazole
CID 67857782
7-[4-[1-[3-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
CID 174333578

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
The IUPAC name of 4-[1-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole (CID 174332912) is 4-[1-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 4-[1-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
The canonical SMILES for 4-[1-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole is c1ccc(-c2cc(-c3ccccc3-c3c(-c4cccc5ocnc45)ccc4ccccc34)nc3ccccc23)cc1.
What is the InChIKey of 4-[1-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
The InChIKey is QGXADMKTPOTHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2O/c1-2-11-25(12-3-1)33-23-35(40-34-19-9-8-16-29(33)34)28-15-6-7-17-30(28)37-27-14-5-4-13-26(27)21-22-31(37)32-18-10-20-36-38(32)39-24-41-36/h1-24H.
What are the key properties of 4-[1-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
4-[1-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole has a molecular weight of 524.62 g/mol, XLogP of 10.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 174332912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).