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

C42H24N4O2 — CID 168785129

IUPAC4-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccc4c(-c5cncc6oc7ccccc7c56)cccc4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C42H24N4O2/c1-2-10-25(11-3-1)40-44-41(46-42(45-40)32-16-9-19-36-38(32)30-13-4-6-17-34(30)47-36)27-20-21-28-26(22-27)12-8-15-29(28)33-23-43-24-37-39(33)31-14-5-7-18-35(31)48-37/h1-24H
InChIKeyGPBOSRZCZPBTDL-UHFFFAOYSA-N
MW616.68 g/mol
LogP10.89
Rot. Bonds4

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

4-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 168785129) has the molecular formula C42H24N4O2 and a molecular weight of 616.68 g/mol. Its IUPAC name is 4-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name4-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine
PubChem CID168785129
Molecular FormulaC42H24N4O2
Molecular Weight616.68 g/mol
Exact Mass616.19
IUPAC Name4-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccc4c(-c5cncc6oc7ccccc7c56)cccc4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C42H24N4O2/c1-2-10-25(11-3-1)40-44-41(46-42(45-40)32-16-9-19-36-38(32)30-13-4-6-17-34(30)47-36)27-20-21-28-26(22-27)12-8-15-29(28)33-23-43-24-37-39(33)31-14-5-7-18-35(31)48-37/h1-24H
InChIKeyGPBOSRZCZPBTDL-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

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

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Related Compounds

2-dibenzofuran-1-yl-4-phenyl-6-[5-(6-phenylnaphthalen-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 176766233
4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine
CID 168785016
4-[4-dibenzofuran-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785513
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171607685
2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 171445503
4-[4-(4-fluoranthen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785254
2-dibenzofuran-1-yl-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;hydride
CID 164955925
2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164978651
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
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-(7-phenanthren-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741783
2-dibenzofuran-1-yl-4-(6-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 171445645

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 4-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine (CID 168785129) is 4-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 4-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 4-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine is c1ccc(-c2nc(-c3ccc4c(-c5cncc6oc7ccccc7c56)cccc4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 4-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is GPBOSRZCZPBTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4O2/c1-2-10-25(11-3-1)40-44-41(46-42(45-40)32-16-9-19-36-38(32)30-13-4-6-17-34(30)47-36)27-20-21-28-26(22-27)12-8-15-29(28)33-23-43-24-37-39(33)31-14-5-7-18-35(31)48-37/h1-24H.
What are the key properties of 4-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine?
4-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-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 4-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 168785129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).