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

C42H24N4O2 — CID 168785084

IUPAC5-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3cccc4c(-c5cccc6oc7cnccc7c56)cccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C42H24N4O2/c1-2-10-25(11-3-1)40-44-41(46-42(45-40)33-18-9-21-36-39(33)31-12-4-5-19-34(31)47-36)30-17-7-13-26-27(14-6-15-28(26)30)29-16-8-20-35-38(29)32-22-23-43-24-37(32)48-35/h1-24H
InChIKeyGBNKNAXDXKQCJB-UHFFFAOYSA-N
MW616.68 g/mol
LogP10.89
Rot. Bonds4

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

5-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 168785084) has the molecular formula C42H24N4O2 and a molecular weight of 616.68 g/mol. Its IUPAC name is 5-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name5-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine
PubChem CID168785084
Molecular FormulaC42H24N4O2
Molecular Weight616.68 g/mol
Exact Mass616.19
IUPAC Name5-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3cccc4c(-c5cccc6oc7cnccc7c56)cccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C42H24N4O2/c1-2-10-25(11-3-1)40-44-41(46-42(45-40)33-18-9-21-36-39(33)31-12-4-5-19-34(31)47-36)30-17-7-13-26-27(14-6-15-28(26)30)29-16-8-20-35-38(29)32-22-23-43-24-37(32)48-35/h1-24H
InChIKeyGBNKNAXDXKQCJB-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

5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 163838027
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
CID 168785118
2-dibenzofuran-1-yl-4-phenyl-6-[5-(9-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731902
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-3-yl-[1]benzofuro[2,3-c]pyridine
CID 168785232
9-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 168784979
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
CID 168785048
2-dibenzofuran-1-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine
CID 155049995
4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 168785394
9-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 166801679
7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline
CID 166502685

Frequently Asked Questions

What is the IUPAC name of 5-[5-(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 5-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine (CID 168785084) is 5-[5-(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 5-[5-(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 5-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine is c1ccc(-c2nc(-c3cccc4c(-c5cccc6oc7cnccc7c56)cccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 5-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is GBNKNAXDXKQCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4O2/c1-2-10-25(11-3-1)40-44-41(46-42(45-40)33-18-9-21-36-39(33)31-12-4-5-19-34(31)47-36)30-17-7-13-26-27(14-6-15-28(26)30)29-16-8-20-35-38(29)32-22-23-43-24-37(32)48-35/h1-24H.
What are the key properties of 5-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine?
5-[5-(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 5-[5-(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 168785084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).