4-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine

C40H26N4O — CID 166801287

IUPAC4-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
SMILESC1=C(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4cc(-c5ccccc5)ccc4c3)n2)c2c(oc3ccccc23)NC1
InChIInChI=1S/C40H26N4O/c1-2-8-25(9-3-1)28-15-16-30-24-32(19-17-29(30)22-28)38-42-37(31-18-14-26-10-4-5-11-27(26)23-31)43-39(44-38)34-20-21-41-40-36(34)33-12-6-7-13-35(33)45-40/h1-20,22-24,41H,21H2
InChIKeyGFDRWKCAIVPUDB-UHFFFAOYSA-N
MW578.68 g/mol
LogP9.78
Rot. Bonds4

About 4-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine

4-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine (PubChem CID 166801287) has the molecular formula C40H26N4O and a molecular weight of 578.68 g/mol. Its IUPAC name is 4-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name4-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
PubChem CID166801287
Molecular FormulaC40H26N4O
Molecular Weight578.68 g/mol
Exact Mass578.21
IUPAC Name4-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
SMILESC1=C(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4cc(-c5ccccc5)ccc4c3)n2)c2c(oc3ccccc23)NC1
InChIInChI=1S/C40H26N4O/c1-2-8-25(9-3-1)28-15-16-30-24-32(19-17-29(30)22-28)38-42-37(31-18-14-26-10-4-5-11-27(26)23-31)43-39(44-38)34-20-21-41-40-36(34)33-12-6-7-13-35(33)45-40/h1-20,22-24,41H,21H2
InChIKeyGFDRWKCAIVPUDB-UHFFFAOYSA-N
XLogP9.78
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.68
LogP ≤ 59.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

12-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaene
CID 166800210
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177119766
2-dibenzofuran-3-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 139571676
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174208962
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177119872
2-[3-(4-naphthalen-2-ylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170008177
2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 170942483
2-dibenzofuran-2-yl-4-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazine
CID 138729836
2-(3-dibenzofuran-3-yl-5-phenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545443
2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 167007289
2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 154934269
2-dibenzofuran-2-yl-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 177119552

Frequently Asked Questions

What is the IUPAC name of 4-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 4-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine (CID 166801287) is 4-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 4-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 4-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine is C1=C(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4cc(-c5ccccc5)ccc4c3)n2)c2c(oc3ccccc23)NC1.
What is the InChIKey of 4-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The InChIKey is GFDRWKCAIVPUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4O/c1-2-8-25(9-3-1)28-15-16-30-24-32(19-17-29(30)22-28)38-42-37(31-18-14-26-10-4-5-11-27(26)23-31)43-39(44-38)34-20-21-41-40-36(34)33-12-6-7-13-35(33)45-40/h1-20,22-24,41H,21H2.
What are the key properties of 4-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
4-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine has a molecular weight of 578.68 g/mol, XLogP of 9.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 166801287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).