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

C40H22N4O3 — CID 167129985

IUPAC5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5cc6nc(-c7ccccc7)oc6cc5c34)n2)cc1
InChIInChI=1S/C40H22N4O3/c1-3-11-23(12-4-1)37-42-38(26-16-9-19-31-35(26)25-15-7-8-18-30(25)45-31)44-39(43-37)27-17-10-20-32-36(27)28-21-34-29(22-33(28)46-32)41-40(47-34)24-13-5-2-6-14-24/h1-22H
InChIKeyCZRYLQXMLYJAEU-UHFFFAOYSA-N
MW606.64 g/mol
LogP10.48
Rot. Bonds4

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

5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole (PubChem CID 167129985) has the molecular formula C40H22N4O3 and a molecular weight of 606.64 g/mol. Its IUPAC name is 5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole.

Molecular Properties

Compound Name5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole
PubChem CID167129985
Molecular FormulaC40H22N4O3
Molecular Weight606.64 g/mol
Exact Mass606.17
IUPAC Name5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5cc6nc(-c7ccccc7)oc6cc5c34)n2)cc1
InChIInChI=1S/C40H22N4O3/c1-3-11-23(12-4-1)37-42-38(26-16-9-19-31-35(26)25-15-7-8-18-30(25)45-31)44-39(43-37)27-17-10-20-32-36(27)28-21-34-29(22-33(28)46-32)41-40(47-34)24-13-5-2-6-14-24/h1-22H
InChIKeyCZRYLQXMLYJAEU-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

Analyze 5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 167129390
8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole
CID 167127603
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole
CID 167128188
2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3-benzoxazole
CID 170681623
2-phenyl-5-[7-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 167128703
7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazole
CID 171455314
5-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole
CID 167128376
5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 167127620
6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-1,3-benzoxazole
CID 170449661
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole
CID 147874262
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-(7-dibenzofuran-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741824

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole?
The IUPAC name of 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) is 5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole.
What is the SMILES notation for 5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole?
The canonical SMILES for 5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole is c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5cc6nc(-c7ccccc7)oc6cc5c34)n2)cc1.
What is the InChIKey of 5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole?
The InChIKey is CZRYLQXMLYJAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N4O3/c1-3-11-23(12-4-1)37-42-38(26-16-9-19-31-35(26)25-15-7-8-18-30(25)45-31)44-39(43-37)27-17-10-20-32-36(27)28-21-34-29(22-33(28)46-32)41-40(47-34)24-13-5-2-6-14-24/h1-22H.
What are the key properties of 5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole?
5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][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 5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole is sourced from PubChem (CID 167129985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).