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

C40H22N4O2S — CID 171455314

IUPAC7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3cc5oc(-c6ccccc6)nc5cc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C40H22N4O2S/c1-3-10-23(11-4-1)37-42-38(44-39(43-37)28-15-9-17-32-36(28)27-14-7-8-16-31(27)45-32)25-18-19-26-29-21-30-33(22-35(29)47-34(26)20-25)46-40(41-30)24-12-5-2-6-13-24/h1-22H
InChIKeyZMEUOWKHOUSYDM-UHFFFAOYSA-N
MW622.71 g/mol
LogP10.95
Rot. Bonds4

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

7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazole (PubChem CID 171455314) has the molecular formula C40H22N4O2S and a molecular weight of 622.71 g/mol. Its IUPAC name is 7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazole.

Molecular Properties

Compound Name7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazole
PubChem CID171455314
Molecular FormulaC40H22N4O2S
Molecular Weight622.71 g/mol
Exact Mass622.15
IUPAC Name7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3cc5oc(-c6ccccc6)nc5cc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C40H22N4O2S/c1-3-10-23(11-4-1)37-42-38(44-39(43-37)28-15-9-17-32-36(28)27-14-7-8-16-31(27)45-32)25-18-19-26-29-21-30-33(22-35(29)47-34(26)20-25)46-40(41-30)24-12-5-2-6-13-24/h1-22H
InChIKeyZMEUOWKHOUSYDM-UHFFFAOYSA-N
XLogP10.95
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.71
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-dibenzofuran-1-yl-4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 155328643
2-dibenzofuran-1-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 171597375
2-dibenzofuran-1-yl-4-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 155328605
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-dibenzofuran-1-yl-4-[4-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 155329006
2-[4-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole
CID 148923539
6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole
CID 167128168
2-phenyl-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-f][1,3]benzoxazole
CID 171455542
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-1,3-benzoxazole
CID 147713539
7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazole
CID 171455437
2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742649
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzothiolo[3,2-f][1,3]benzoxazole
CID 171456149

Frequently Asked Questions

What is the IUPAC name of 7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazole?
The IUPAC name of 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) is 7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazole.
What is the SMILES notation for 7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazole?
The canonical SMILES for 7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazole is c1ccc(-c2nc(-c3ccc4c(c3)sc3cc5oc(-c6ccccc6)nc5cc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazole?
The InChIKey is ZMEUOWKHOUSYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N4O2S/c1-3-10-23(11-4-1)37-42-38(44-39(43-37)28-15-9-17-32-36(28)27-14-7-8-16-31(27)45-32)25-18-19-26-29-21-30-33(22-35(29)47-34(26)20-25)46-40(41-30)24-12-5-2-6-13-24/h1-22H.
What are the key properties of 7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazole?
7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazole has a molecular weight of 622.71 g/mol, XLogP of 10.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazole is sourced from PubChem (CID 171455314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).