2,4-diphenyl-6-(7-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine

C45H27N3O — CID 166048411

IUPAC2,4-diphenyl-6-(7-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc34)n2)cc1
InChIInChI=1S/C45H27N3O/c1-3-12-28(13-4-1)43-46-44(29-14-5-2-6-15-29)48-45(47-43)39-21-11-20-38-37-25-23-31(27-41(37)49-42(38)39)30-22-24-36-34-18-8-7-16-32(34)33-17-9-10-19-35(33)40(36)26-30/h1-27H
InChIKeyQXVDWLMXXCYAQB-UHFFFAOYSA-N
MW625.73 g/mol
LogP11.90
Rot. Bonds4

About 2,4-diphenyl-6-(7-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine

2,4-diphenyl-6-(7-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine (PubChem CID 166048411) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 2,4-diphenyl-6-(7-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(7-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
PubChem CID166048411
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name2,4-diphenyl-6-(7-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc34)n2)cc1
InChIInChI=1S/C45H27N3O/c1-3-12-28(13-4-1)43-46-44(29-14-5-2-6-15-29)48-45(47-43)39-21-11-20-38-37-25-23-31(27-41(37)49-42(38)39)30-22-24-36-34-18-8-7-16-32(34)33-17-9-10-19-35(33)40(36)26-30/h1-27H
InChIKeyQXVDWLMXXCYAQB-UHFFFAOYSA-N
XLogP11.90
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 137496589
2-phenyl-4-(7-phenyldibenzofuran-3-yl)-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155477108
2,4-diphenyl-6-[7-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 166953095
2-dibenzofuran-4-yl-4-phenyl-6-(7-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166952539
2-dibenzofuran-4-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 166952322
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-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
CID 166953249
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160184
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476
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-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176765189
2-dibenzofuran-4-yl-4-phenyl-6-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-1,3,5-triazine
CID 176817867

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(7-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(7-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine (CID 166048411) is 2,4-diphenyl-6-(7-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(7-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(7-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(7-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine?
The InChIKey is QXVDWLMXXCYAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-3-12-28(13-4-1)43-46-44(29-14-5-2-6-15-29)48-45(47-43)39-21-11-20-38-37-25-23-31(27-41(37)49-42(38)39)30-22-24-36-34-18-8-7-16-32(34)33-17-9-10-19-35(33)40(36)26-30/h1-27H.
What are the key properties of 2,4-diphenyl-6-(7-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine?
2,4-diphenyl-6-(7-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine has a molecular weight of 625.73 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(7-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine is sourced from PubChem (CID 166048411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).