7-[4-[1-[3-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole

C43H27N3O — CID 174333578

IUPAC7-[4-[1-[3-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3cccc(-c4c(-c5ccc(-c6cccc7ncoc67)cc5)ccc5ccccc45)c3)c3ccccc3n2)cc1
InChIInChI=1S/C43H27N3O/c1-2-11-31(12-3-1)43-45-38-18-7-6-16-37(38)41(46-43)33-14-8-13-32(26-33)40-34-15-5-4-10-28(34)24-25-35(40)29-20-22-30(23-21-29)36-17-9-19-39-42(36)47-27-44-39/h1-27H
InChIKeyNLFWZVLUZDYNLJ-UHFFFAOYSA-N
MW601.71 g/mol
LogP11.26
Rot. Bonds5

About 7-[4-[1-[3-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole

7-[4-[1-[3-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole (PubChem CID 174333578) has the molecular formula C43H27N3O and a molecular weight of 601.71 g/mol. Its IUPAC name is 7-[4-[1-[3-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name7-[4-[1-[3-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
PubChem CID174333578
Molecular FormulaC43H27N3O
Molecular Weight601.71 g/mol
Exact Mass601.22
IUPAC Name7-[4-[1-[3-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3cccc(-c4c(-c5ccc(-c6cccc7ncoc67)cc5)ccc5ccccc45)c3)c3ccccc3n2)cc1
InChIInChI=1S/C43H27N3O/c1-2-11-31(12-3-1)43-45-38-18-7-6-16-37(38)41(46-43)33-14-8-13-32(26-33)40-34-15-5-4-10-28(34)24-25-35(40)29-20-22-30(23-21-29)36-17-9-19-39-42(36)47-27-44-39/h1-27H
InChIKeyNLFWZVLUZDYNLJ-UHFFFAOYSA-N
XLogP11.26
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[4-[1-[3-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole
CID 174333593
5-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
CID 174332810
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)quinazoline
CID 89279802
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
2-phenyl-5-[3-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
CID 174333729
4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline
CID 170025825
9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413134
2-[4-[1-(3-isocyanophenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140848174
2-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 168756345
2-dibenzofuran-4-yl-4-phenyl-6-[4-[2-(3-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442227
2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(3-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139441843
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143

Frequently Asked Questions

What is the IUPAC name of 7-[4-[1-[3-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 7-[4-[1-[3-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole (CID 174333578) is 7-[4-[1-[3-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 7-[4-[1-[3-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 7-[4-[1-[3-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole is c1ccc(-c2nc(-c3cccc(-c4c(-c5ccc(-c6cccc7ncoc67)cc5)ccc5ccccc45)c3)c3ccccc3n2)cc1.
What is the InChIKey of 7-[4-[1-[3-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole?
The InChIKey is NLFWZVLUZDYNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3O/c1-2-11-31(12-3-1)43-45-38-18-7-6-16-37(38)41(46-43)33-14-8-13-32(26-33)40-34-15-5-4-10-28(34)24-25-35(40)29-20-22-30(23-21-29)36-17-9-19-39-42(36)47-27-44-39/h1-27H.
What are the key properties of 7-[4-[1-[3-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole?
7-[4-[1-[3-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole has a molecular weight of 601.71 g/mol, XLogP of 11.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[1-[3-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 174333578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).