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

C44H28N4O — CID 153310091

IUPAC2-phenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5cc(-c6ccc7nc(-c8ccccc8)oc7c6)ccc5c4)n3)cc2)cc1
InChIInChI=1S/C44H28N4O/c1-4-10-29(11-5-1)30-16-18-32(19-17-30)42-46-41(31-12-6-2-7-13-31)47-43(48-42)38-23-22-34-26-35(20-21-36(34)27-38)37-24-25-39-40(28-37)49-44(45-39)33-14-8-3-9-15-33/h1-28H
InChIKeyJRBZVCJAUSBZPZ-UHFFFAOYSA-N
MW628.74 g/mol
LogP11.17
Rot. Bonds6

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

2-phenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole (PubChem CID 153310091) has the molecular formula C44H28N4O and a molecular weight of 628.74 g/mol. Its IUPAC name is 2-phenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-phenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole
PubChem CID153310091
Molecular FormulaC44H28N4O
Molecular Weight628.74 g/mol
Exact Mass628.23
IUPAC Name2-phenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5cc(-c6ccc7nc(-c8ccccc8)oc7c6)ccc5c4)n3)cc2)cc1
InChIInChI=1S/C44H28N4O/c1-4-10-29(11-5-1)30-16-18-32(19-17-30)42-46-41(31-12-6-2-7-13-31)47-43(48-42)38-23-22-34-26-35(20-21-36(34)27-38)37-24-25-39-40(28-37)49-44(45-39)33-14-8-3-9-15-33/h1-28H
InChIKeyJRBZVCJAUSBZPZ-UHFFFAOYSA-N
XLogP11.17
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.74
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1,3-benzoxazole
CID 70830032
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681641
2-phenyl-6-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 153017614
6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole
CID 147790794
6-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 171756611
2-[4-[6-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 170046632
2-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681660
6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole
CID 170716750
6-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 170681491
6-[6-[4-dibenzofuran-4-yl-6-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphthalen-2-yl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole;5-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;6-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 159598829
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
6-phenyl-2-[4-[(E)-2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
CID 23146226

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-phenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole (CID 153310091) is 2-phenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-phenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-phenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5cc(-c6ccc7nc(-c8ccccc8)oc7c6)ccc5c4)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole?
The InChIKey is JRBZVCJAUSBZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4O/c1-4-10-29(11-5-1)30-16-18-32(19-17-30)42-46-41(31-12-6-2-7-13-31)47-43(48-42)38-23-22-34-26-35(20-21-36(34)27-38)37-24-25-39-40(28-37)49-44(45-39)33-14-8-3-9-15-33/h1-28H.
What are the key properties of 2-phenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole?
2-phenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole has a molecular weight of 628.74 g/mol, XLogP of 11.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 153310091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).