2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine

C39H23N3S2 — CID 166952783

IUPAC2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5c(-c6cccc7c6sc6ccccc67)cccc5c4c3)n2)cc1
InChIInChI=1S/C39H23N3S2/c1-3-11-24(12-4-1)37-40-38(25-13-5-2-6-14-25)42-39(41-37)26-21-22-34-32(23-26)31-19-10-18-30(36(31)44-34)29-17-9-16-28-27-15-7-8-20-33(27)43-35(28)29/h1-23H
InChIKeyXBILSPNYPGDKAL-UHFFFAOYSA-N
MW597.77 g/mol
LogP11.28
Rot. Bonds4

About 2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine

2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 166952783) has the molecular formula C39H23N3S2 and a molecular weight of 597.77 g/mol. Its IUPAC name is 2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID166952783
Molecular FormulaC39H23N3S2
Molecular Weight597.77 g/mol
Exact Mass597.13
IUPAC Name2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5c(-c6cccc7c6sc6ccccc67)cccc5c4c3)n2)cc1
InChIInChI=1S/C39H23N3S2/c1-3-11-24(12-4-1)37-40-38(25-13-5-2-6-14-25)42-39(41-37)26-21-22-34-32(23-26)31-19-10-18-30(36(31)44-34)29-17-9-16-28-27-15-7-8-20-33(27)43-35(28)29/h1-23H
InChIKeyXBILSPNYPGDKAL-UHFFFAOYSA-N
XLogP11.28
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.77
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952729
2-[3-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 122679618
2-[3-(8-dibenzothiophen-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377191
2-(3-dibenzothiophen-2-yl-5-dibenzothiophen-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402536
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 155329887
2-dibenzothiophen-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850235
2-[4-(6-dibenzothiophen-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377434
2-(4-dibenzothiophen-4-ylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850283
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425260
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
2,4-diphenyl-6-[8-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-4-yl]-1,3,5-triazine
CID 155328822
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425247

Frequently Asked Questions

What is the IUPAC name of 2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine (CID 166952783) is 2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5c(-c6cccc7c6sc6ccccc67)cccc5c4c3)n2)cc1.
What is the InChIKey of 2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is XBILSPNYPGDKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N3S2/c1-3-11-24(12-4-1)37-40-38(25-13-5-2-6-14-25)42-39(41-37)26-21-22-34-32(23-26)31-19-10-18-30(36(31)44-34)29-17-9-16-28-27-15-7-8-20-33(27)43-35(28)29/h1-23H.
What are the key properties of 2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine?
2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 597.77 g/mol, XLogP of 11.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 166952783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).