2-[1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole

C38H24N4O — CID 174332815

IUPAC2-[1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3c(-c4nc5ccccc5o4)ccc4ccccc34)n2)cc1
InChIInChI=1S/C38H24N4O/c1-3-14-26(15-4-1)35-40-36(27-16-5-2-6-17-27)42-37(41-35)30-20-10-9-19-29(30)34-28-18-8-7-13-25(28)23-24-31(34)38-39-32-21-11-12-22-33(32)43-38/h1-24H
InChIKeyXHMJDGABVOISQR-UHFFFAOYSA-N
MW552.64 g/mol
LogP9.50
Rot. Bonds5

About 2-[1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole

2-[1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole (PubChem CID 174332815) has the molecular formula C38H24N4O and a molecular weight of 552.64 g/mol. Its IUPAC name is 2-[1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
PubChem CID174332815
Molecular FormulaC38H24N4O
Molecular Weight552.64 g/mol
Exact Mass552.20
IUPAC Name2-[1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3c(-c4nc5ccccc5o4)ccc4ccccc34)n2)cc1
InChIInChI=1S/C38H24N4O/c1-3-14-26(15-4-1)35-40-36(27-16-5-2-6-17-27)42-37(41-35)30-20-10-9-19-29(30)34-28-18-8-7-13-25(28)23-24-31(34)38-39-32-21-11-12-22-33(32)43-38/h1-24H
InChIKeyXHMJDGABVOISQR-UHFFFAOYSA-N
XLogP9.50
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole with MolForge

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Related Compounds

2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole
CID 147874262
2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzoxazole
CID 147547147
2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole
CID 147257373
2-[3-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 170027959
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-1,3-benzoxazole
CID 147569754
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1,3-benzoxazole
CID 70830032
4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole
CID 174332961
2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3-benzoxazole
CID 170681623
2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3-benzoxazole
CID 155444593
2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-1,3-benzoxazole
CID 166582820
2-dibenzofuran-4-yl-4-phenyl-6-[4-[2-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442228
2-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole
CID 146513479

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole (CID 174332815) is 2-[1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3c(-c4nc5ccccc5o4)ccc4ccccc34)n2)cc1.
What is the InChIKey of 2-[1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
The InChIKey is XHMJDGABVOISQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O/c1-3-14-26(15-4-1)35-40-36(27-16-5-2-6-17-27)42-37(41-35)30-20-10-9-19-29(30)34-28-18-8-7-13-25(28)23-24-31(34)38-39-32-21-11-12-22-33(32)43-38/h1-24H.
What are the key properties of 2-[1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole?
2-[1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole has a molecular weight of 552.64 g/mol, XLogP of 9.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 174332815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).