2-dibenzofuran-1-yl-4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-triphenylen-1-yl-1,3,5-triazine

C57H31N3O3 — CID 168908516

IUPAC2-dibenzofuran-1-yl-4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-triphenylen-1-yl-1,3,5-triazine
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4oc5cccc(-c6nc(-c7cccc8oc9ccccc9c78)nc(-c7cccc8c9ccccc9c9ccccc9c78)n6)c5c4c3)cc12
InChIInChI=1S/C57H31N3O3/c1-2-13-36-34(12-1)35-14-3-4-16-38(35)52-39(36)18-9-19-41(52)55-58-56(42-20-10-24-50-53(42)40-17-6-8-23-47(40)62-50)60-57(59-55)43-21-11-25-51-54(43)45-31-33(27-29-49(45)63-51)32-26-28-48-44(30-32)37-15-5-7-22-46(37)61-48/h1-31H
InChIKeyUOMGHXANYPIUPX-UHFFFAOYSA-N
MW805.89 g/mol
LogP15.70
Rot. Bonds4

About 2-dibenzofuran-1-yl-4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-triphenylen-1-yl-1,3,5-triazine

2-dibenzofuran-1-yl-4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-triphenylen-1-yl-1,3,5-triazine (PubChem CID 168908516) has the molecular formula C57H31N3O3 and a molecular weight of 805.89 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-triphenylen-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-triphenylen-1-yl-1,3,5-triazine
PubChem CID168908516
Molecular FormulaC57H31N3O3
Molecular Weight805.89 g/mol
Exact Mass805.24
IUPAC Name2-dibenzofuran-1-yl-4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-triphenylen-1-yl-1,3,5-triazine
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4oc5cccc(-c6nc(-c7cccc8oc9ccccc9c78)nc(-c7cccc8c9ccccc9c9ccccc9c78)n6)c5c4c3)cc12
InChIInChI=1S/C57H31N3O3/c1-2-13-36-34(12-1)35-14-3-4-16-38(35)52-39(36)18-9-19-41(52)55-58-56(42-20-10-24-50-53(42)40-17-6-8-23-47(40)62-50)60-57(59-55)43-21-11-25-51-54(43)45-31-33(27-29-49(45)63-51)32-26-28-48-44(30-32)37-15-5-7-22-46(37)61-48/h1-31H
InChIKeyUOMGHXANYPIUPX-UHFFFAOYSA-N
XLogP15.70
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.89
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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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-1-yl-4-dibenzofuran-2-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165036845
2-dibenzofuran-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837471
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-dibenzofuran-3-yl-4-[8-(1-phenyldibenzofuran-3-yl)dibenzofuran-1-yl]-6-triphenylen-1-yl-1,3,5-triazine
CID 168908553
2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156522936
2-[8-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 167167260
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-methyl-1,3,5-triazine
CID 118888311
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-phenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198755
2-dibenzofuran-3-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 140946348
2-dibenzofuran-1-yl-4-(5-dibenzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731953

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-triphenylen-1-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-triphenylen-1-yl-1,3,5-triazine (CID 168908516) is 2-dibenzofuran-1-yl-4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-triphenylen-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-triphenylen-1-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-triphenylen-1-yl-1,3,5-triazine is c1ccc2c(c1)oc1ccc(-c3ccc4oc5cccc(-c6nc(-c7cccc8oc9ccccc9c78)nc(-c7cccc8c9ccccc9c9ccccc9c78)n6)c5c4c3)cc12.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-triphenylen-1-yl-1,3,5-triazine?
The InChIKey is UOMGHXANYPIUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H31N3O3/c1-2-13-36-34(12-1)35-14-3-4-16-38(35)52-39(36)18-9-19-41(52)55-58-56(42-20-10-24-50-53(42)40-17-6-8-23-47(40)62-50)60-57(59-55)43-21-11-25-51-54(43)45-31-33(27-29-49(45)63-51)32-26-28-48-44(30-32)37-15-5-7-22-46(37)61-48/h1-31H.
What are the key properties of 2-dibenzofuran-1-yl-4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-triphenylen-1-yl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-triphenylen-1-yl-1,3,5-triazine has a molecular weight of 805.89 g/mol, XLogP of 15.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-triphenylen-1-yl-1,3,5-triazine is sourced from PubChem (CID 168908516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).