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

C40H24N4O — CID 168785372

IUPAC8-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cncc4oc5c(-c6ccc7ccccc7c6)cccc5c34)n2)cc1
InChIInChI=1S/C40H24N4O/c1-2-11-27(12-3-1)38-42-39(31-20-18-26-10-5-7-14-29(26)22-31)44-40(43-38)34-23-41-24-35-36(34)33-16-8-15-32(37(33)45-35)30-19-17-25-9-4-6-13-28(25)21-30/h1-24H
InChIKeyBPEOWZMDZDEAEZ-UHFFFAOYSA-N
MW576.66 g/mol
LogP10.14
Rot. Bonds4

About 8-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine

8-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 168785372) has the molecular formula C40H24N4O and a molecular weight of 576.66 g/mol. Its IUPAC name is 8-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name8-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
PubChem CID168785372
Molecular FormulaC40H24N4O
Molecular Weight576.66 g/mol
Exact Mass576.20
IUPAC Name8-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cncc4oc5c(-c6ccc7ccccc7c6)cccc5c34)n2)cc1
InChIInChI=1S/C40H24N4O/c1-2-11-27(12-3-1)38-42-39(31-20-18-26-10-5-7-14-29(26)22-31)44-40(43-38)34-23-41-24-35-36(34)33-16-8-15-32(37(33)45-35)30-19-17-25-9-4-6-13-28(25)21-30/h1-24H
InChIKeyBPEOWZMDZDEAEZ-UHFFFAOYSA-N
XLogP10.14
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.66
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-dibenzofuran-4-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 168785189
2-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 166742466
2-naphthalen-2-yl-4-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808335
2,4-dinaphthalen-2-yl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742620
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
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742622
2-dibenzofuran-3-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741074
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[3-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214029
2-(4-naphthalen-2-ylphenyl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808228
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214025
2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[4-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214033
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741524

Frequently Asked Questions

What is the IUPAC name of 8-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 8-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine (CID 168785372) is 8-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 8-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 8-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cncc4oc5c(-c6ccc7ccccc7c6)cccc5c34)n2)cc1.
What is the InChIKey of 8-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine?
The InChIKey is BPEOWZMDZDEAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O/c1-2-11-27(12-3-1)38-42-39(31-20-18-26-10-5-7-14-29(26)22-31)44-40(43-38)34-23-41-24-35-36(34)33-16-8-15-32(37(33)45-35)30-19-17-25-9-4-6-13-28(25)21-30/h1-24H.
What are the key properties of 8-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine?
8-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine has a molecular weight of 576.66 g/mol, XLogP of 10.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 168785372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).