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

C46H28N4O2 — CID 170681623

IUPAC2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc(-c6nc7ccccc7o6)cc5)cc4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C46H28N4O2/c1-2-10-29(11-3-1)34-12-8-13-35(28-34)44-48-43(49-45(50-44)37-15-9-19-41-42(37)36-14-4-6-17-39(36)51-41)32-24-20-30(21-25-32)31-22-26-33(27-23-31)46-47-38-16-5-7-18-40(38)52-46/h1-28H
InChIKeyJOJUAAVJRZZVNH-UHFFFAOYSA-N
MW668.76 g/mol
LogP11.91
Rot. Bonds6

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

2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3-benzoxazole (PubChem CID 170681623) has the molecular formula C46H28N4O2 and a molecular weight of 668.76 g/mol. Its IUPAC name is 2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3-benzoxazole
PubChem CID170681623
Molecular FormulaC46H28N4O2
Molecular Weight668.76 g/mol
Exact Mass668.22
IUPAC Name2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc(-c6nc7ccccc7o6)cc5)cc4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C46H28N4O2/c1-2-10-29(11-3-1)34-12-8-13-35(28-34)44-48-43(49-45(50-44)37-15-9-19-41-42(37)36-14-4-6-17-39(36)51-41)32-24-20-30(21-25-32)31-22-26-33(27-23-31)46-47-38-16-5-7-18-40(38)52-46/h1-28H
InChIKeyJOJUAAVJRZZVNH-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

2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole
CID 147874262
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681641
2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole
CID 147257373
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-1,3-benzoxazole
CID 147713539
2-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681660
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 167129985
2-[3-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 170027959
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163779888
2-dibenzofuran-1-yl-4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163687766
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3-benzoxazole (CID 170681623) is 2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3-benzoxazole is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc(-c6nc7ccccc7o6)cc5)cc4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1.
What is the InChIKey of 2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3-benzoxazole?
The InChIKey is JOJUAAVJRZZVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O2/c1-2-10-29(11-3-1)34-12-8-13-35(28-34)44-48-43(49-45(50-44)37-15-9-19-41-42(37)36-14-4-6-17-39(36)51-41)32-24-20-30(21-25-32)31-22-26-33(27-23-31)46-47-38-16-5-7-18-40(38)52-46/h1-28H.
What are the key properties of 2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3-benzoxazole?
2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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 2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 170681623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).