5-[1-[4-(3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole

C38H24N2O — CID 174332890

IUPAC5-[1-[4-(3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cc3ccccc3c(-c3ccc(-c4c(-c5ccc6ocnc6c5)ccc5ccccc45)cc3)n2)cc1
InChIInChI=1S/C38H24N2O/c1-2-9-26(10-3-1)34-22-29-11-5-7-13-33(29)38(40-34)28-16-14-27(15-17-28)37-31-12-6-4-8-25(31)18-20-32(37)30-19-21-36-35(23-30)39-24-41-36/h1-24H
InChIKeyYKXHWBYAFJFVGX-UHFFFAOYSA-N
MW524.62 g/mol
LogP10.20
Rot. Bonds4

About 5-[1-[4-(3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole

5-[1-[4-(3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole (PubChem CID 174332890) has the molecular formula C38H24N2O and a molecular weight of 524.62 g/mol. Its IUPAC name is 5-[1-[4-(3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-[1-[4-(3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
PubChem CID174332890
Molecular FormulaC38H24N2O
Molecular Weight524.62 g/mol
Exact Mass524.19
IUPAC Name5-[1-[4-(3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cc3ccccc3c(-c3ccc(-c4c(-c5ccc6ocnc6c5)ccc5ccccc45)cc3)n2)cc1
InChIInChI=1S/C38H24N2O/c1-2-9-26(10-3-1)34-22-29-11-5-7-13-33(29)38(40-34)28-16-14-27(15-17-28)37-31-12-6-4-8-25(31)18-20-32(37)30-19-21-36-35(23-30)39-24-41-36/h1-24H
InChIKeyYKXHWBYAFJFVGX-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-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
CID 174332810
5-[2-[1-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
CID 174333584
5-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole
CID 174332746
6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole
CID 174333593
2-methyl-6-[4-[1-[4-(3-methyl-4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
CID 174332752
5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole
CID 174333209
5-[3-[2-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2-methyl-1,3-benzoxazole
CID 174334084
5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 174333735
7-[4-[1-[3-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
CID 174333578
2-phenyl-5-[3-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
CID 174333729
2-phenyl-6-[1-[4-(6-phenylpyridazin-3-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
CID 174333028
1,2-diphenylnaphthalene
CID 11208267

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
The IUPAC name of 5-[1-[4-(3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole (CID 174332890) is 5-[1-[4-(3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 5-[1-[4-(3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
The canonical SMILES for 5-[1-[4-(3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole is c1ccc(-c2cc3ccccc3c(-c3ccc(-c4c(-c5ccc6ocnc6c5)ccc5ccccc45)cc3)n2)cc1.
What is the InChIKey of 5-[1-[4-(3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
The InChIKey is YKXHWBYAFJFVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2O/c1-2-9-26(10-3-1)34-22-29-11-5-7-13-33(29)38(40-34)28-16-14-27(15-17-28)37-31-12-6-4-8-25(31)18-20-32(37)30-19-21-36-35(23-30)39-24-41-36/h1-24H.
What are the key properties of 5-[1-[4-(3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
5-[1-[4-(3-phenylisoquinolin-1-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 5-[1-[4-(3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 174332890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).