2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine

C50H30N4O2 — CID 130261983

IUPAC2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1
InChIInChI=1S/C50H30N4O2/c1-2-10-33(11-3-1)48-52-49(34-22-20-31(21-23-34)32-24-26-51-27-25-32)54-50(53-48)37-29-35(38-14-8-16-42-40-12-4-6-18-44(40)55-46(38)42)28-36(30-37)39-15-9-17-43-41-13-5-7-19-45(41)56-47(39)43/h1-30H
InChIKeyCLYBFMISIVIEIU-UHFFFAOYSA-N
MW718.82 g/mol
LogP13.07
Rot. Bonds6

About 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine

2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine (PubChem CID 130261983) has the molecular formula C50H30N4O2 and a molecular weight of 718.82 g/mol. Its IUPAC name is 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
PubChem CID130261983
Molecular FormulaC50H30N4O2
Molecular Weight718.82 g/mol
Exact Mass718.24
IUPAC Name2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1
InChIInChI=1S/C50H30N4O2/c1-2-10-33(11-3-1)48-52-49(34-22-20-31(21-23-34)32-24-26-51-27-25-32)54-50(53-48)37-29-35(38-14-8-16-42-40-12-4-6-18-44(40)55-46(38)42)28-36(30-37)39-15-9-17-43-41-13-5-7-19-45(41)56-47(39)43/h1-30H
InChIKeyCLYBFMISIVIEIU-UHFFFAOYSA-N
XLogP13.07
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.82
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine
CID 171583144
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 139441684
4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine
CID 154950185
2-(3-bromo-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 142752625
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(10-pyridin-4-ylanthracen-9-yl)pyrimidine
CID 130262121
2-[2-[6-(3,5-dipyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171761227
2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 155077744
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942421
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942555
2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 155077740

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine (CID 130261983) is 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.
What is the InChIKey of 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The InChIKey is CLYBFMISIVIEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O2/c1-2-10-33(11-3-1)48-52-49(34-22-20-31(21-23-34)32-24-26-51-27-25-32)54-50(53-48)37-29-35(38-14-8-16-42-40-12-4-6-18-44(40)55-46(38)42)28-36(30-37)39-15-9-17-43-41-13-5-7-19-45(41)56-47(39)43/h1-30H.
What are the key properties of 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine has a molecular weight of 718.82 g/mol, XLogP of 13.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 130261983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).