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

C40H24N4O2 — CID 167128188

IUPAC5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6cc7oc(-c8ccccc8)nc7cc6c45)cc3)n2)cc1
InChIInChI=1S/C40H24N4O2/c1-4-11-26(12-5-1)37-42-38(27-13-6-2-7-14-27)44-39(43-37)28-21-19-25(20-22-28)30-17-10-18-33-36(30)31-23-32-35(24-34(31)45-33)46-40(41-32)29-15-8-3-9-16-29/h1-24H
InChIKeyWOQFLQNKUATUFL-UHFFFAOYSA-N
MW592.66 g/mol
LogP10.25
Rot. Bonds5

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

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole (PubChem CID 167128188) has the molecular formula C40H24N4O2 and a molecular weight of 592.66 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole.

Molecular Properties

Compound Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole
PubChem CID167128188
Molecular FormulaC40H24N4O2
Molecular Weight592.66 g/mol
Exact Mass592.19
IUPAC Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6cc7oc(-c8ccccc8)nc7cc6c45)cc3)n2)cc1
InChIInChI=1S/C40H24N4O2/c1-4-11-26(12-5-1)37-42-38(27-13-6-2-7-14-27)44-39(43-37)28-21-19-25(20-22-28)30-17-10-18-33-36(30)31-23-32-35(24-34(31)45-33)46-40(41-32)29-15-8-3-9-16-29/h1-24H
InChIKeyWOQFLQNKUATUFL-UHFFFAOYSA-N
XLogP10.25
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.66
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
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-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 167129985
N-phenyl-4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167127239
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
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
2-phenyl-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797315
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798189
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
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
2-phenyl-4-(3-phenylphenyl)-6-[9-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952469
N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-5-yl)phenyl]dibenzofuran-2-amine
CID 167127808

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole?
The IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole (CID 167128188) is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole.
What is the SMILES notation for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole?
The canonical SMILES for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6cc7oc(-c8ccccc8)nc7cc6c45)cc3)n2)cc1.
What is the InChIKey of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole?
The InChIKey is WOQFLQNKUATUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O2/c1-4-11-26(12-5-1)37-42-38(27-13-6-2-7-14-27)44-39(43-37)28-21-19-25(20-22-28)30-17-10-18-33-36(30)31-23-32-35(24-34(31)45-33)46-40(41-32)29-15-8-3-9-16-29/h1-24H.
What are the key properties of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole?
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole has a molecular weight of 592.66 g/mol, XLogP of 10.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole is sourced from PubChem (CID 167128188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).