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

C50H30N4O2 — CID 130262615

IUPAC2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)nc(-c3ccccc3-c3ccncc3)n2)cc1
InChIInChI=1S/C50H30N4O2/c1-2-10-32(11-3-1)48-52-49(54-50(53-48)41-15-5-4-12-38(41)31-22-24-51-25-23-31)37-27-35(33-18-20-46-42(29-33)39-13-6-8-16-44(39)55-46)26-36(28-37)34-19-21-47-43(30-34)40-14-7-9-17-45(40)56-47/h1-30H
InChIKeyAOPSNFQNISWOKV-UHFFFAOYSA-N
MW718.82 g/mol
LogP13.07
Rot. Bonds6

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

2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine (PubChem CID 130262615) has the molecular formula C50H30N4O2 and a molecular weight of 718.82 g/mol. Its IUPAC name is 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine
PubChem CID130262615
Molecular FormulaC50H30N4O2
Molecular Weight718.82 g/mol
Exact Mass718.24
IUPAC Name2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)nc(-c3ccccc3-c3ccncc3)n2)cc1
InChIInChI=1S/C50H30N4O2/c1-2-10-32(11-3-1)48-52-49(54-50(53-48)41-15-5-4-12-38(41)31-22-24-51-25-23-31)37-27-35(33-18-20-46-42(29-33)39-13-6-8-16-44(39)55-46)26-36(28-37)34-19-21-47-43(30-34)40-14-7-9-17-45(40)56-47/h1-30H
InChIKeyAOPSNFQNISWOKV-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-2-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942624
2-[4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942583
2-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942380
2-(8-phenyldibenzofuran-2-yl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 171414823
4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine
CID 154949936
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 130262793
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 171582598
2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 176632723
2,4-diphenyl-6-[2-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-pyridin-4-yl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 167580187
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 164822821
2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 170010934
2-(2-dibenzofuran-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545420

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine (CID 130262615) is 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)nc(-c3ccccc3-c3ccncc3)n2)cc1.
What is the InChIKey of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine?
The InChIKey is AOPSNFQNISWOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O2/c1-2-10-32(11-3-1)48-52-49(54-50(53-48)41-15-5-4-12-38(41)31-22-24-51-25-23-31)37-27-35(33-18-20-46-42(29-33)39-13-6-8-16-44(39)55-46)26-36(28-37)34-19-21-47-43(30-34)40-14-7-9-17-45(40)56-47/h1-30H.
What are the key properties of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine?
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-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-2-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 130262615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).