7-[4-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-1,3-benzoxazole

C46H28N4O2 — CID 170681655

IUPAC7-[4-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc(-c5cccc6nc(-c7ccccc7)oc56)cc4)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C46H28N4O2/c1-3-11-31(12-4-1)43-48-44(50-45(49-43)35-25-26-38-37-17-7-8-20-40(37)51-41(38)28-35)34-16-9-15-33(27-34)29-21-23-30(24-22-29)36-18-10-19-39-42(36)52-46(47-39)32-13-5-2-6-14-32/h1-28H
InChIKeyCTKIZRODJIZZEE-UHFFFAOYSA-N
MW668.76 g/mol
LogP11.91
Rot. Bonds6

About 7-[4-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-1,3-benzoxazole

7-[4-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-1,3-benzoxazole (PubChem CID 170681655) has the molecular formula C46H28N4O2 and a molecular weight of 668.76 g/mol. Its IUPAC name is 7-[4-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-[4-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-1,3-benzoxazole
PubChem CID170681655
Molecular FormulaC46H28N4O2
Molecular Weight668.76 g/mol
Exact Mass668.22
IUPAC Name7-[4-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc(-c5cccc6nc(-c7ccccc7)oc56)cc4)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C46H28N4O2/c1-3-11-31(12-4-1)43-48-44(50-45(49-43)35-25-26-38-37-17-7-8-20-40(37)51-41(38)28-35)34-16-9-15-33(27-34)29-21-23-30(24-22-29)36-18-10-19-39-42(36)52-46(47-39)32-13-5-2-6-14-32/h1-28H
InChIKeyCTKIZRODJIZZEE-UHFFFAOYSA-N
XLogP11.91
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.76
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764260
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264
2-dibenzofuran-3-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850143
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817
2-(4-dibenzofuran-3-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 167548643
2-dibenzofuran-4-yl-4-[4-(6-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 177269991
2-(4-dibenzofuran-3-ylphenyl)-4-[3-(3,5-diphenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850214
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830
2-dibenzofuran-3-yl-4-(3-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850239
2-[6-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170364256
2-(2-dibenzofuran-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850267

Frequently Asked Questions

What is the IUPAC name of 7-[4-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-1,3-benzoxazole?
The IUPAC name of 7-[4-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-1,3-benzoxazole (CID 170681655) is 7-[4-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 7-[4-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 7-[4-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc(-c3cccc(-c4ccc(-c5cccc6nc(-c7ccccc7)oc56)cc4)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 7-[4-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-1,3-benzoxazole?
The InChIKey is CTKIZRODJIZZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O2/c1-3-11-31(12-4-1)43-48-44(50-45(49-43)35-25-26-38-37-17-7-8-20-40(37)51-41(38)28-35)34-16-9-15-33(27-34)29-21-23-30(24-22-29)36-18-10-19-39-42(36)52-46(47-39)32-13-5-2-6-14-32/h1-28H.
What are the key properties of 7-[4-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-1,3-benzoxazole?
7-[4-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-1,3-benzoxazole has a molecular weight of 668.76 g/mol, XLogP of 11.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 170681655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).