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

C37H23N3O — CID 147685695

IUPAC2-[4-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]phenyl]-1,3-benzoxazole
SMILESc1ccc2cc(-c3nc(-c4ccc(-c5ccc(-c6nc7ccccc7o6)cc5)cc4)c4ccccc4n3)ccc2c1
InChIInChI=1S/C37H23N3O/c1-2-8-29-23-30(22-17-24(29)7-1)36-38-32-10-4-3-9-31(32)35(40-36)27-18-13-25(14-19-27)26-15-20-28(21-16-26)37-39-33-11-5-6-12-34(33)41-37/h1-23H
InChIKeyGPYWWFLDIWPUKH-UHFFFAOYSA-N
MW525.61 g/mol
LogP9.59
Rot. Bonds4

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

2-[4-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]phenyl]-1,3-benzoxazole (PubChem CID 147685695) has the molecular formula C37H23N3O and a molecular weight of 525.61 g/mol. Its IUPAC name is 2-[4-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]phenyl]-1,3-benzoxazole
PubChem CID147685695
Molecular FormulaC37H23N3O
Molecular Weight525.61 g/mol
Exact Mass525.18
IUPAC Name2-[4-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]phenyl]-1,3-benzoxazole
SMILESc1ccc2cc(-c3nc(-c4ccc(-c5ccc(-c6nc7ccccc7o6)cc5)cc4)c4ccccc4n3)ccc2c1
InChIInChI=1S/C37H23N3O/c1-2-8-29-23-30(22-17-24(29)7-1)36-38-32-10-4-3-9-31(32)35(40-36)27-18-13-25(14-19-27)26-15-20-28(21-16-26)37-39-33-11-5-6-12-34(33)41-37/h1-23H
InChIKeyGPYWWFLDIWPUKH-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

2-[3-(1,3-benzoxazol-2-yl)-5-[4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 176740351
2-[4-[6-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 170046632
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1,3-benzoxazole
CID 70830032
6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
CID 147892572
2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole
CID 138633502
2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline
CID 155326671
2-[4-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzoxazole
CID 58963337
2-phenyl-5-[3-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
CID 174333729
2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline
CID 155473673
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681641
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 163760027
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline
CID 152898383

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]phenyl]-1,3-benzoxazole (CID 147685695) is 2-[4-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]phenyl]-1,3-benzoxazole is c1ccc2cc(-c3nc(-c4ccc(-c5ccc(-c6nc7ccccc7o6)cc5)cc4)c4ccccc4n3)ccc2c1.
What is the InChIKey of 2-[4-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]phenyl]-1,3-benzoxazole?
The InChIKey is GPYWWFLDIWPUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3O/c1-2-8-29-23-30(22-17-24(29)7-1)36-38-32-10-4-3-9-31(32)35(40-36)27-18-13-25(14-19-27)26-15-20-28(21-16-26)37-39-33-11-5-6-12-34(33)41-37/h1-23H.
What are the key properties of 2-[4-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]phenyl]-1,3-benzoxazole?
2-[4-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]phenyl]-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 2-[4-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 147685695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).