1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridine

C42H24N4O2 — CID 168785610

IUPAC1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3ncc(-c4ccc5ccccc5c4)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C42H24N4O2/c1-2-12-26(13-3-1)40-44-41(31-17-10-20-35-36(31)29-15-6-8-18-33(29)47-35)46-42(45-40)38-37-30-16-7-9-19-34(30)48-39(37)32(24-43-38)28-22-21-25-11-4-5-14-27(25)23-28/h1-24H
InChIKeyOCNOXTBRIGGZTR-UHFFFAOYSA-N
MW616.68 g/mol
LogP10.89
Rot. Bonds4

About 1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridine

1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridine (PubChem CID 168785610) has the molecular formula C42H24N4O2 and a molecular weight of 616.68 g/mol. Its IUPAC name is 1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridine
PubChem CID168785610
Molecular FormulaC42H24N4O2
Molecular Weight616.68 g/mol
Exact Mass616.19
IUPAC Name1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3ncc(-c4ccc5ccccc5c4)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C42H24N4O2/c1-2-12-26(13-3-1)40-44-41(31-17-10-20-35-36(31)29-15-6-8-18-33(29)47-35)46-42(45-40)38-37-30-16-7-9-19-34(30)48-39(37)32(24-43-38)28-22-21-25-11-4-5-14-27(25)23-28/h1-24H
InChIKeyOCNOXTBRIGGZTR-UHFFFAOYSA-N
XLogP10.89
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.68
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-phenyl-[1]benzofuro[3,2-c]pyridine
CID 168784982
2-dibenzofuran-1-yl-4-[3-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 176766280
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-[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-3-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741074
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742622
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742525
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588100
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743569
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741524
2-dibenzofuran-1-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 177130847

Frequently Asked Questions

What is the IUPAC name of 1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridine (CID 168785610) is 1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridine is c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3ncc(-c4ccc5ccccc5c4)c4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridine?
The InChIKey is OCNOXTBRIGGZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4O2/c1-2-12-26(13-3-1)40-44-41(31-17-10-20-35-36(31)29-15-6-8-18-33(29)47-35)46-42(45-40)38-37-30-16-7-9-19-34(30)48-39(37)32(24-43-38)28-22-21-25-11-4-5-14-27(25)23-28/h1-24H.
What are the key properties of 1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridine?
1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridine has a molecular weight of 616.68 g/mol, XLogP of 10.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 168785610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).