2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine

C51H29N3O2 — CID 166925795

IUPAC2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc5c4c3)n2)cc1
InChIInChI=1S/C51H29N3O2/c1-2-10-30(11-3-1)49-52-50(54-51(53-49)34-20-24-41-39-14-6-8-16-45(39)56-48(41)29-34)33-19-23-37-35-12-4-5-13-36(35)42-26-31(18-22-38(42)43(37)28-33)32-21-25-47-44(27-32)40-15-7-9-17-46(40)55-47/h1-29H
InChIKeySZSILRNEDANXSJ-UHFFFAOYSA-N
MW715.81 g/mol
LogP13.80
Rot. Bonds4

About 2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine

2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine (PubChem CID 166925795) has the molecular formula C51H29N3O2 and a molecular weight of 715.81 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
PubChem CID166925795
Molecular FormulaC51H29N3O2
Molecular Weight715.81 g/mol
Exact Mass715.23
IUPAC Name2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc5c4c3)n2)cc1
InChIInChI=1S/C51H29N3O2/c1-2-10-30(11-3-1)49-52-50(54-51(53-49)34-20-24-41-39-14-6-8-16-45(39)56-48(41)29-34)33-19-23-37-35-12-4-5-13-36(35)42-26-31(18-22-38(42)43(37)28-33)32-21-25-47-44(27-32)40-15-7-9-17-46(40)55-47/h1-29H
InChIKeySZSILRNEDANXSJ-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-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 163895901
2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407713
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
2-(10-dibenzofuran-3-yltriphenylen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166925810
2,4-diphenyl-6-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,3,5-triazine
CID 158987075
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269
2-[7-(4-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009557
2-[10-(3-dibenzofuran-2-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925660
2-(3-dibenzofuran-3-ylphenyl)-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 155773189
2-(10-dibenzofuran-2-yltriphenylen-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166925794
2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050267
2,4-diphenyl-6-[4-(7-triphenylen-2-yldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 148954728

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine (CID 166925795) is 2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc5c4c3)n2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is SZSILRNEDANXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O2/c1-2-10-30(11-3-1)49-52-50(54-51(53-49)34-20-24-41-39-14-6-8-16-45(39)56-48(41)29-34)33-19-23-37-35-12-4-5-13-36(35)42-26-31(18-22-38(42)43(37)28-33)32-21-25-47-44(27-32)40-15-7-9-17-46(40)55-47/h1-29H.
What are the key properties of 2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine?
2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-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-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 166925795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).