2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine

C36H22N4O — CID 170928036

IUPAC2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cccc4oc5ccccc5c34)n2)nc1
InChIInChI=1S/C36H22N4O/c1-2-9-26-22-27(20-17-23(26)8-1)24-15-18-25(19-16-24)34-38-35(40-36(39-34)30-12-5-6-21-37-30)29-11-7-14-32-33(29)28-10-3-4-13-31(28)41-32/h1-22H
InChIKeyRQMKCDGCMAVUNT-UHFFFAOYSA-N
MW526.60 g/mol
LogP8.99
Rot. Bonds4

About 2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine

2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine (PubChem CID 170928036) has the molecular formula C36H22N4O and a molecular weight of 526.60 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine
PubChem CID170928036
Molecular FormulaC36H22N4O
Molecular Weight526.60 g/mol
Exact Mass526.18
IUPAC Name2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cccc4oc5ccccc5c34)n2)nc1
InChIInChI=1S/C36H22N4O/c1-2-9-26-22-27(20-17-23(26)8-1)24-15-18-25(19-16-24)34-38-35(40-36(39-34)30-12-5-6-21-37-30)29-11-7-14-32-33(29)28-10-3-4-13-31(28)41-32/h1-22H
InChIKeyRQMKCDGCMAVUNT-UHFFFAOYSA-N
XLogP8.99
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713
2-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]quinoline
CID 174301395
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741628
2-dibenzofuran-1-yl-4-phenyl-6-[2,4,6-trideuterio-3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 169053843
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743692
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
2-dibenzofuran-1-yl-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 162504507
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine
CID 170017927

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine (CID 170928036) is 2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cccc4oc5ccccc5c34)n2)nc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine?
The InChIKey is RQMKCDGCMAVUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4O/c1-2-9-26-22-27(20-17-23(26)8-1)24-15-18-25(19-16-24)34-38-35(40-36(39-34)30-12-5-6-21-37-30)29-11-7-14-32-33(29)28-10-3-4-13-31(28)41-32/h1-22H.
What are the key properties of 2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine has a molecular weight of 526.60 g/mol, XLogP of 8.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 170928036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).