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

C44H28N4O — CID 149079954

IUPAC6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5nc(-c6ccccc6)oc5c4)cc(-c4cccc5ccccc45)c3)n2)cc1
InChIInChI=1S/C44H28N4O/c1-4-14-30(15-5-1)41-46-42(31-16-6-2-7-17-31)48-43(47-41)36-26-34(25-35(27-36)38-22-12-20-29-13-10-11-21-37(29)38)33-23-24-39-40(28-33)49-44(45-39)32-18-8-3-9-19-32/h1-28H
InChIKeyQQCWAGSOLYLCGT-UHFFFAOYSA-N
MW628.74 g/mol
LogP11.17
Rot. Bonds6

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

6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole (PubChem CID 149079954) has the molecular formula C44H28N4O and a molecular weight of 628.74 g/mol. Its IUPAC name is 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole
PubChem CID149079954
Molecular FormulaC44H28N4O
Molecular Weight628.74 g/mol
Exact Mass628.23
IUPAC Name6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5nc(-c6ccccc6)oc5c4)cc(-c4cccc5ccccc45)c3)n2)cc1
InChIInChI=1S/C44H28N4O/c1-4-14-30(15-5-1)41-46-42(31-16-6-2-7-17-31)48-43(47-41)36-26-34(25-35(27-36)38-22-12-20-29-13-10-11-21-37(29)38)33-23-24-39-40(28-33)49-44(45-39)32-18-8-3-9-19-32/h1-28H
InChIKeyQQCWAGSOLYLCGT-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

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

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Related Compounds

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphthalen-1-yl-2-phenyl-1,3-benzoxazole
CID 153310365
9-[4-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764262
6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole
CID 149428077
2-phenyl-6-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 153017614
2-phenyl-6-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3-benzoxazole
CID 164758438
2-phenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole
CID 153310091
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 164822821
6-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 170681491
2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311645
2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3-benzoxazole
CID 170681623
2,7-bis(4-naphthalen-1-ylphenyl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 169314088
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681641

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole?
The IUPAC name of 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole (CID 149079954) is 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5nc(-c6ccccc6)oc5c4)cc(-c4cccc5ccccc45)c3)n2)cc1.
What is the InChIKey of 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole?
The InChIKey is QQCWAGSOLYLCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4O/c1-4-14-30(15-5-1)41-46-42(31-16-6-2-7-17-31)48-43(47-41)36-26-34(25-35(27-36)38-22-12-20-29-13-10-11-21-37(29)38)33-23-24-39-40(28-33)49-44(45-39)32-18-8-3-9-19-32/h1-28H.
What are the key properties of 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole?
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-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 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 149079954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).