2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole

C40H22N4O3 — CID 147874262

IUPAC2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5cccc(-c6nc7ccccc7o6)c5c34)n2)cc1
InChIInChI=1S/C40H22N4O3/c1-2-11-23(12-3-1)37-42-38(25-14-8-20-31-34(25)24-13-4-6-18-29(24)45-31)44-39(43-37)26-15-9-21-32-35(26)36-27(16-10-22-33(36)46-32)40-41-28-17-5-7-19-30(28)47-40/h1-22H
InChIKeyHZFAJWMVKIRBPZ-UHFFFAOYSA-N
MW606.64 g/mol
LogP10.48
Rot. Bonds4

About 2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole

2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole (PubChem CID 147874262) has the molecular formula C40H22N4O3 and a molecular weight of 606.64 g/mol. Its IUPAC name is 2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole
PubChem CID147874262
Molecular FormulaC40H22N4O3
Molecular Weight606.64 g/mol
Exact Mass606.17
IUPAC Name2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5cccc(-c6nc7ccccc7o6)c5c34)n2)cc1
InChIInChI=1S/C40H22N4O3/c1-2-11-23(12-3-1)37-42-38(25-14-8-20-31-34(25)24-13-4-6-18-29(24)45-31)44-39(43-37)26-15-9-21-32-35(26)36-27(16-10-22-33(36)46-32)40-41-28-17-5-7-19-30(28)47-40/h1-22H
InChIKeyHZFAJWMVKIRBPZ-UHFFFAOYSA-N
XLogP10.48
TPSA90.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.64
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole
CID 147257373
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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzoxazole
CID 147547147
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzoxazole
CID 149084816
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-1,3-benzoxazole
CID 147569754
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-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-1,3-benzoxazole
CID 147713539
2-dibenzofuran-1-yl-4-phenyl-6-[5-(9-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731902
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-1,3-benzoxazole
CID 170449661

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole (CID 147874262) is 2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole is c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5cccc(-c6nc7ccccc7o6)c5c34)n2)cc1.
What is the InChIKey of 2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole?
The InChIKey is HZFAJWMVKIRBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N4O3/c1-2-11-23(12-3-1)37-42-38(25-14-8-20-31-34(25)24-13-4-6-18-29(24)45-31)44-39(43-37)26-15-9-21-32-35(26)36-27(16-10-22-33(36)46-32)40-41-28-17-5-7-19-30(28)47-40/h1-22H.
What are the key properties of 2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole?
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole has a molecular weight of 606.64 g/mol, XLogP of 10.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 147874262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).