2-dibenzothiophen-4-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[g][1,3]benzoxazole

C38H22N4OS — CID 138633567

IUPAC2-dibenzothiophen-4-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[g][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5nc(-c6cccc7c6sc6ccccc67)oc5c4c3)n2)cc1
InChIInChI=1S/C38H22N4OS/c1-3-10-24(11-4-1)35-40-36(25-12-5-2-6-13-25)42-37(41-35)26-19-18-23-20-21-31-33(30(23)22-26)43-38(39-31)29-16-9-15-28-27-14-7-8-17-32(27)44-34(28)29/h1-22H
InChIKeyLBHMEYCHQHMWFI-UHFFFAOYSA-N
MW582.69 g/mol
LogP10.20
Rot. Bonds4

About 2-dibenzothiophen-4-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[g][1,3]benzoxazole

2-dibenzothiophen-4-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[g][1,3]benzoxazole (PubChem CID 138633567) has the molecular formula C38H22N4OS and a molecular weight of 582.69 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[g][1,3]benzoxazole.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[g][1,3]benzoxazole
PubChem CID138633567
Molecular FormulaC38H22N4OS
Molecular Weight582.69 g/mol
Exact Mass582.15
IUPAC Name2-dibenzothiophen-4-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[g][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5nc(-c6cccc7c6sc6ccccc67)oc5c4c3)n2)cc1
InChIInChI=1S/C38H22N4OS/c1-3-10-24(11-4-1)35-40-36(25-12-5-2-6-13-25)42-37(41-35)26-19-18-23-20-21-31-33(30(23)22-26)43-38(39-31)29-16-9-15-28-27-14-7-8-17-32(27)44-34(28)29/h1-22H
InChIKeyLBHMEYCHQHMWFI-UHFFFAOYSA-N
XLogP10.20
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.69
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole
CID 138633683
8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[g][1,3]benzoxazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g][1,3]benzoxazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[g][1,3]benzoxazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[g][1,3]benzoxazole
CID 160577763
18-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-yl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177086146
2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952783
2-(8-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952729
8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole
CID 168740232
2-dibenzothiophen-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952521
9-(4-dibenzothiophen-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoxazole
CID 176764314
2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 148788297
2-dibenzothiophen-4-yl-9-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-e][1,3]benzoxazole;10-(4,6-diphenylpyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylnaphtho[1,2-e][1,3]benzoxazole
CID 161485729
2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 139442046
2-(4-dibenzothiophen-4-ylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850283

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[g][1,3]benzoxazole?
The IUPAC name of 2-dibenzothiophen-4-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[g][1,3]benzoxazole (CID 138633567) is 2-dibenzothiophen-4-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[g][1,3]benzoxazole.
What is the SMILES notation for 2-dibenzothiophen-4-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[g][1,3]benzoxazole?
The canonical SMILES for 2-dibenzothiophen-4-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[g][1,3]benzoxazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5nc(-c6cccc7c6sc6ccccc67)oc5c4c3)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[g][1,3]benzoxazole?
The InChIKey is LBHMEYCHQHMWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4OS/c1-3-10-24(11-4-1)35-40-36(25-12-5-2-6-13-25)42-37(41-35)26-19-18-23-20-21-31-33(30(23)22-26)43-38(39-31)29-16-9-15-28-27-14-7-8-17-32(27)44-34(28)29/h1-22H.
What are the key properties of 2-dibenzothiophen-4-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[g][1,3]benzoxazole?
2-dibenzothiophen-4-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[g][1,3]benzoxazole has a molecular weight of 582.69 g/mol, XLogP of 10.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[g][1,3]benzoxazole is sourced from PubChem (CID 138633567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).