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

C51H29N3O2 — CID 166953249

IUPAC2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)cccc34)n2)cc1
InChIInChI=1S/C51H29N3O2/c1-2-13-30(14-3-1)49-52-50(42-24-11-21-39-38-19-8-9-26-45(38)55-47(39)42)54-51(53-49)43-25-12-23-41-40-22-10-20-32(46(40)56-48(41)43)31-27-28-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)44(37)29-31/h1-29H
InChIKeyYZSHPFRZKSEPTC-UHFFFAOYSA-N
MW715.81 g/mol
LogP13.80
Rot. Bonds4

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

2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine (PubChem CID 166953249) has the molecular formula C51H29N3O2 and a molecular weight of 715.81 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
PubChem CID166953249
Molecular FormulaC51H29N3O2
Molecular Weight715.81 g/mol
Exact Mass715.23
IUPAC Name2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)cccc34)n2)cc1
InChIInChI=1S/C51H29N3O2/c1-2-13-30(14-3-1)49-52-50(42-24-11-21-39-38-19-8-9-26-45(38)55-47(39)42)54-51(53-49)43-25-12-23-41-40-22-10-20-32(46(40)56-48(41)43)31-27-28-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)44(37)29-31/h1-29H
InChIKeyYZSHPFRZKSEPTC-UHFFFAOYSA-N
XLogP13.80
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.81
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

2-dibenzofuran-4-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 166952322
2,4-diphenyl-6-(7-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
CID 166048411
2-dibenzofuran-4-yl-4-[4-(6-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 177269991
2-dibenzofuran-4-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198762
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 165018119
2-(9-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 174292591
2-dibenzofuran-4-yl-4-phenyl-6-(7-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166952539
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942555
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942421
2-(2-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402367
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine (CID 166953249) is 2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)cccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine?
The InChIKey is YZSHPFRZKSEPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O2/c1-2-13-30(14-3-1)49-52-50(42-24-11-21-39-38-19-8-9-26-45(38)55-47(39)42)54-51(53-49)43-25-12-23-41-40-22-10-20-32(46(40)56-48(41)43)31-27-28-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)44(37)29-31/h1-29H.
What are the key properties of 2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine has a molecular weight of 715.81 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine is sourced from PubChem (CID 166953249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).