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

C37H23N3O — CID 174332810

IUPAC5-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccc(-c4c(-c5ccc6ocnc6c5)ccc5ccccc45)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C37H23N3O/c1-2-9-27(10-3-1)37-39-32-13-7-6-12-31(32)36(40-37)26-16-14-25(15-17-26)35-29-11-5-4-8-24(29)18-20-30(35)28-19-21-34-33(22-28)38-23-41-34/h1-23H
InChIKeyQUTHHWSNSQXEQV-UHFFFAOYSA-N
MW525.61 g/mol
LogP9.59
Rot. Bonds4

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

5-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole (PubChem CID 174332810) has the molecular formula C37H23N3O and a molecular weight of 525.61 g/mol. Its IUPAC name is 5-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
PubChem CID174332810
Molecular FormulaC37H23N3O
Molecular Weight525.61 g/mol
Exact Mass525.18
IUPAC Name5-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccc(-c4c(-c5ccc6ocnc6c5)ccc5ccccc45)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C37H23N3O/c1-2-9-27(10-3-1)37-39-32-13-7-6-12-31(32)36(40-37)26-16-14-25(15-17-26)35-29-11-5-4-8-24(29)18-20-30(35)28-19-21-34-33(22-28)38-23-41-34/h1-23H
InChIKeyQUTHHWSNSQXEQV-UHFFFAOYSA-N
XLogP9.59
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[4-(3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
CID 174332890
6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole
CID 174333593
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
5-[2-[1-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
CID 174333584
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
5-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole
CID 174332746
2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline
CID 163813527
4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline
CID 170025825
3-(4-phenylquinazolin-2-yl)phenanthridine
CID 155792537
7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine
CID 144856144
3-[3-(4-phenylquinazolin-2-yl)phenyl]phenanthridine
CID 155792573

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
The IUPAC name of 5-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole (CID 174332810) is 5-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 5-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
The canonical SMILES for 5-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole is c1ccc(-c2nc(-c3ccc(-c4c(-c5ccc6ocnc6c5)ccc5ccccc45)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 5-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
The InChIKey is QUTHHWSNSQXEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3O/c1-2-9-27(10-3-1)37-39-32-13-7-6-12-31(32)36(40-37)26-16-14-25(15-17-26)35-29-11-5-4-8-24(29)18-20-30(35)28-19-21-34-33(22-28)38-23-41-34/h1-23H.
What are the key properties of 5-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
5-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole has a molecular weight of 525.61 g/mol, XLogP of 9.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 174332810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).