4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine

C39H25N3OS — CID 167185632

IUPAC4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4oc5ccc(-c6ccc7sc8ccccc8c7c6)cc5c4c3)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C39H25N3OS/c1-3-9-24(10-4-1)37-40-38(25-11-5-2-6-12-25)42-39(41-37)28-16-19-34-31(23-28)30-21-26(15-18-33(30)43-34)27-17-20-36-32(22-27)29-13-7-8-14-35(29)44-36/h1-23,37H,(H,40,41,42)
InChIKeyZSMWFXNLWMUVFT-UHFFFAOYSA-N
MW583.72 g/mol
LogP10.12
Rot. Bonds4

About 4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine

4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 167185632) has the molecular formula C39H25N3OS and a molecular weight of 583.72 g/mol. Its IUPAC name is 4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
PubChem CID167185632
Molecular FormulaC39H25N3OS
Molecular Weight583.72 g/mol
Exact Mass583.17
IUPAC Name4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4oc5ccc(-c6ccc7sc8ccccc8c7c6)cc5c4c3)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C39H25N3OS/c1-3-9-24(10-4-1)37-40-38(25-11-5-2-6-12-25)42-39(41-37)28-16-19-34-31(23-28)30-21-26(15-18-33(30)43-34)27-17-20-36-32(22-27)29-13-7-8-14-35(29)44-36/h1-23,37H,(H,40,41,42)
InChIKeyZSMWFXNLWMUVFT-UHFFFAOYSA-N
XLogP10.12
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.72
LogP ≤ 510.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 170364065
2,6-diphenyl-4-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 146407693
(2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 166744213
4-dibenzothiophen-3-yl-2-phenyl-6-(3-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine
CID 167233632
4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine
CID 167029864
2-dibenzofuran-3-yl-4-[7-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170192694
4-dibenzothiophen-2-yl-6-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167008414
4-dibenzofuran-2-yl-2-phenyl-6-[8-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,2-dihydro-1,3,5-triazine
CID 155002341
9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 139555379
1-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-8-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridine
CID 155327328
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-3-yl]carbazole
CID 166962570
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole
CID 166962153

Frequently Asked Questions

What is the IUPAC name of 4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine (CID 167185632) is 4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc4oc5ccc(-c6ccc7sc8ccccc8c7c6)cc5c4c3)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is ZSMWFXNLWMUVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3OS/c1-3-9-24(10-4-1)37-40-38(25-11-5-2-6-12-25)42-39(41-37)28-16-19-34-31(23-28)30-21-26(15-18-33(30)43-34)27-17-20-36-32(22-27)29-13-7-8-14-35(29)44-36/h1-23,37H,(H,40,41,42).
What are the key properties of 4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 583.72 g/mol, XLogP of 10.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 167185632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).