2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine

C37H23N3O — CID 166741483

IUPAC2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3c(-c4ccccc4)ccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C37H23N3O/c1-3-12-25(13-4-1)29-21-22-32-33(30-17-9-10-18-31(30)41-32)34(29)37-39-35(26-14-5-2-6-15-26)38-36(40-37)28-20-19-24-11-7-8-16-27(24)23-28/h1-23H
InChIKeyVJOAWLJXJYBHIV-UHFFFAOYSA-N
MW525.61 g/mol
LogP9.59
Rot. Bonds4

About 2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine

2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 166741483) has the molecular formula C37H23N3O and a molecular weight of 525.61 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
PubChem CID166741483
Molecular FormulaC37H23N3O
Molecular Weight525.61 g/mol
Exact Mass525.18
IUPAC Name2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3c(-c4ccccc4)ccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C37H23N3O/c1-3-12-25(13-4-1)29-21-22-32-33(30-17-9-10-18-31(30)41-32)34(29)37-39-35(26-14-5-2-6-15-26)38-36(40-37)28-20-19-24-11-7-8-16-27(24)23-28/h1-23H
InChIKeyVJOAWLJXJYBHIV-UHFFFAOYSA-N
XLogP9.59
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742408
2-dibenzofuran-1-yl-4-(2-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743045
2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741406
2,4-diphenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742294
2-[2-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 170246998
2-[2-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491098
2-naphthalen-2-yl-4-(1-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176616808
2-dibenzofuran-2-yl-4-phenanthren-2-yl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741485
2-naphthalen-2-yl-4-phenyl-6-[1-(6-phenylnaphthalen-2-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 163653922
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-naphthalen-2-yl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170006850
2-naphthalen-2-yl-4-(1-phenanthren-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine
CID 176616811
2-(4-naphthalen-1-ylphenyl)-4-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-phenyl-4-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165071346

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine (CID 166741483) is 2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3c(-c4ccccc4)ccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is VJOAWLJXJYBHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3O/c1-3-12-25(13-4-1)29-21-22-32-33(30-17-9-10-18-31(30)41-32)34(29)37-39-35(26-14-5-2-6-15-26)38-36(40-37)28-20-19-24-11-7-8-16-27(24)23-28/h1-23H.
What are the key properties of 2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine?
2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 525.61 g/mol, XLogP of 9.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 166741483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).