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

C45H25N3O2S — CID 170363880

IUPAC2-dibenzofuran-2-yl-4-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cc(-c4cccc5sc6ccccc6c45)cc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C45H25N3O2S/c1-2-11-26(12-3-1)43-46-44(27-21-22-37-33(23-27)30-13-4-7-17-35(30)49-37)48-45(47-43)34-24-28(25-38-41(34)31-14-5-8-18-36(31)50-38)29-16-10-20-40-42(29)32-15-6-9-19-39(32)51-40/h1-25H
InChIKeyZNWRHRVHWHXZFO-UHFFFAOYSA-N
MW671.78 g/mol
LogP12.71
Rot. Bonds4

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

2-dibenzofuran-2-yl-4-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 170363880) has the molecular formula C45H25N3O2S and a molecular weight of 671.78 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID170363880
Molecular FormulaC45H25N3O2S
Molecular Weight671.78 g/mol
Exact Mass671.17
IUPAC Name2-dibenzofuran-2-yl-4-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cc(-c4cccc5sc6ccccc6c45)cc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C45H25N3O2S/c1-2-11-26(12-3-1)43-46-44(27-21-22-37-33(23-27)30-13-4-7-17-35(30)49-37)48-45(47-43)34-24-28(25-38-41(34)31-14-5-8-18-36(31)50-38)29-16-10-20-40-42(29)32-15-6-9-19-39(32)51-40/h1-25H
InChIKeyZNWRHRVHWHXZFO-UHFFFAOYSA-N
XLogP12.71
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.78
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-dibenzofuran-2-yl-4-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166742090
2-dibenzothiophen-1-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741653
2-dibenzofuran-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 162780117
2-dibenzothiophen-1-yl-4-phenyl-6-[3-[8-(2-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 134198900
2-dibenzothiophen-1-yl-4-phenyl-6-(9-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407677
2-dibenzothiophen-2-yl-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170301810
2-dibenzofuran-2-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155079039
2-dibenzofuran-2-yl-4-(2-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743290
2-dibenzothiophen-1-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198711
2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741718
2-(3-dibenzofuran-3-yl-5-dibenzothiophen-1-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163547459
2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742649

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (CID 170363880) is 2-dibenzofuran-2-yl-4-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cc(-c4cccc5sc6ccccc6c45)cc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is ZNWRHRVHWHXZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N3O2S/c1-2-11-26(12-3-1)43-46-44(27-21-22-37-33(23-27)30-13-4-7-17-35(30)49-37)48-45(47-43)34-24-28(25-38-41(34)31-14-5-8-18-36(31)50-38)29-16-10-20-40-42(29)32-15-6-9-19-39(32)51-40/h1-25H.
What are the key properties of 2-dibenzofuran-2-yl-4-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
2-dibenzofuran-2-yl-4-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 671.78 g/mol, XLogP of 12.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170363880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).