2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

C57H31N3O4 — CID 156522936

IUPAC2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4oc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c34)nc(-c3cccc4oc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c34)n2)cc1
InChIInChI=1S/C57H31N3O4/c1-2-10-32(11-3-1)55-58-56(41-14-8-18-49-53(41)39-24-20-35(30-51(39)63-49)33-22-26-47-43(28-33)37-12-4-6-16-45(37)61-47)60-57(59-55)42-15-9-19-50-54(42)40-25-21-36(31-52(40)64-50)34-23-27-48-44(29-34)38-13-5-7-17-46(38)62-48/h1-31H
InChIKeyCXBVHBHFQONPIM-UHFFFAOYSA-N
MW821.89 g/mol
LogP15.80
Rot. Bonds5

About 2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 156522936) has the molecular formula C57H31N3O4 and a molecular weight of 821.89 g/mol. Its IUPAC name is 2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID156522936
Molecular FormulaC57H31N3O4
Molecular Weight821.89 g/mol
Exact Mass821.23
IUPAC Name2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4oc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c34)nc(-c3cccc4oc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c34)n2)cc1
InChIInChI=1S/C57H31N3O4/c1-2-10-32(11-3-1)55-58-56(41-14-8-18-49-53(41)39-24-20-35(30-51(39)63-49)33-22-26-47-43(28-33)37-12-4-6-16-45(37)61-47)60-57(59-55)42-15-9-19-50-54(42)40-25-21-36(31-52(40)64-50)34-23-27-48-44(29-34)38-13-5-7-17-46(38)62-48/h1-31H
InChIKeyCXBVHBHFQONPIM-UHFFFAOYSA-N
XLogP15.80
TPSA91.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.89
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 156522941
2-dibenzofuran-2-yl-4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742830
2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166742269
2-[8-(3-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597252
2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 157361535
2-dibenzofuran-3-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 140946348
2-dibenzofuran-1-yl-4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163687766
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163779888
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-dibenzofuran-1-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 157056344
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165036845
2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 171445503

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (CID 156522936) is 2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4oc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c34)nc(-c3cccc4oc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c34)n2)cc1.
What is the InChIKey of 2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is CXBVHBHFQONPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H31N3O4/c1-2-10-32(11-3-1)55-58-56(41-14-8-18-49-53(41)39-24-20-35(30-51(39)63-49)33-22-26-47-43(28-33)37-12-4-6-16-45(37)61-47)60-57(59-55)42-15-9-19-50-54(42)40-25-21-36(31-52(40)64-50)34-23-27-48-44(29-34)38-13-5-7-17-46(38)62-48/h1-31H.
What are the key properties of 2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 821.89 g/mol, XLogP of 15.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 156522936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).