2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

C45H25N3OS2 — CID 166743560

IUPAC2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C45H25N3OS2/c1-2-11-26(12-3-1)43-46-44(27-21-22-30-28-13-5-8-19-37(28)50-39(30)25-27)48-45(47-43)35-24-23-31(41-40(35)34-15-4-7-18-36(34)49-41)33-17-10-16-32-29-14-6-9-20-38(29)51-42(32)33/h1-25H
InChIKeyASYZQVQHSLUXSG-UHFFFAOYSA-N
MW687.85 g/mol
LogP13.17
Rot. Bonds4

About 2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 166743560) has the molecular formula C45H25N3OS2 and a molecular weight of 687.85 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID166743560
Molecular FormulaC45H25N3OS2
Molecular Weight687.85 g/mol
Exact Mass687.14
IUPAC Name2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C45H25N3OS2/c1-2-11-26(12-3-1)43-46-44(27-21-22-30-28-13-5-8-19-37(28)50-39(30)25-27)48-45(47-43)35-24-23-31(41-40(35)34-15-4-7-18-36(34)49-41)33-17-10-16-32-29-14-6-9-20-38(29)51-42(32)33/h1-25H
InChIKeyASYZQVQHSLUXSG-UHFFFAOYSA-N
XLogP13.17
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.85
LogP ≤ 513.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078930
2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 158804411
2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 159808130
2-(6-dibenzofuran-1-yldibenzothiophen-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377443
2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine
CID 170201845
2-dibenzofuran-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 147864491
2-dibenzofuran-4-yl-4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 155077964
2-dibenzofuran-3-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166952304
2,4-diphenyl-6-[9-(1-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199156
2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170202632
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166741703
2,4-di(dibenzothiophen-3-yl)-6-[8-(4-dibenzothiophen-3-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 165166709

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (CID 166743560) is 2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is ASYZQVQHSLUXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N3OS2/c1-2-11-26(12-3-1)43-46-44(27-21-22-30-28-13-5-8-19-37(28)50-39(30)25-27)48-45(47-43)35-24-23-31(41-40(35)34-15-4-7-18-36(34)49-41)33-17-10-16-32-29-14-6-9-20-38(29)51-42(32)33/h1-25H.
What are the key properties of 2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 687.85 g/mol, XLogP of 13.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 166743560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).