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

C50H28N4O3 — CID 155077751

IUPAC2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine
SMILESc1cncc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)c5oc6ccccc6c45)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)c1
InChIInChI=1S/C50H28N4O3/c1-4-12-41-36(9-1)38-21-19-31(26-44(38)55-41)35-24-23-34(46-40-11-3-6-14-43(40)57-47(35)46)29-15-17-30(18-16-29)48-52-49(54-50(53-48)33-8-7-25-51-28-33)32-20-22-39-37-10-2-5-13-42(37)56-45(39)27-32/h1-28H
InChIKeyCVTMDLBUPVUSNT-UHFFFAOYSA-N
MW732.80 g/mol
LogP13.30
Rot. Bonds5

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

2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine (PubChem CID 155077751) has the molecular formula C50H28N4O3 and a molecular weight of 732.80 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine
PubChem CID155077751
Molecular FormulaC50H28N4O3
Molecular Weight732.80 g/mol
Exact Mass732.22
IUPAC Name2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine
SMILESc1cncc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)c5oc6ccccc6c45)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)c1
InChIInChI=1S/C50H28N4O3/c1-4-12-41-36(9-1)38-21-19-31(26-44(38)55-41)35-24-23-34(46-40-11-3-6-14-43(40)57-47(35)46)29-15-17-30(18-16-29)48-52-49(54-50(53-48)33-8-7-25-51-28-33)32-20-22-39-37-10-2-5-13-42(37)56-45(39)27-32/h1-28H
InChIKeyCVTMDLBUPVUSNT-UHFFFAOYSA-N
XLogP13.30
TPSA90.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.80
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-dibenzofuran-3-yl-4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-pyridin-3-yl-1,3,5-triazine
CID 155077776
4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 155077831
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155603342
2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 155077748
2-phenyl-4-[7-(4-phenyldibenzofuran-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170206981
2-[4-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 155077884
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155603269
2-dibenzofuran-3-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155078918
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 155077731
4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 155077820
2-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155079176
2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155077970

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine (CID 155077751) is 2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine is c1cncc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)c5oc6ccccc6c45)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)c1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine?
The InChIKey is CVTMDLBUPVUSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N4O3/c1-4-12-41-36(9-1)38-21-19-31(26-44(38)55-41)35-24-23-34(46-40-11-3-6-14-43(40)57-47(35)46)29-15-17-30(18-16-29)48-52-49(54-50(53-48)33-8-7-25-51-28-33)32-20-22-39-37-10-2-5-13-42(37)56-45(39)27-32/h1-28H.
What are the key properties of 2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine?
2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine has a molecular weight of 732.80 g/mol, XLogP of 13.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine is sourced from PubChem (CID 155077751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).