2-naphthalen-1-yl-4-(7-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine

C41H25N3O — CID 176617044

IUPAC2-naphthalen-1-yl-4-(7-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3cc(-c5ccc6ccccc6c5)ccc34)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C41H25N3O/c1-2-11-28(12-3-1)39-42-40(44-41(43-39)36-16-8-14-27-10-6-7-15-33(27)36)32-20-22-35-34-21-19-31(24-37(34)45-38(35)25-32)30-18-17-26-9-4-5-13-29(26)23-30/h1-25H
InChIKeyONDSPYZTUXGZNU-UHFFFAOYSA-N
MW575.67 g/mol
LogP10.75
Rot. Bonds4

About 2-naphthalen-1-yl-4-(7-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine

2-naphthalen-1-yl-4-(7-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine (PubChem CID 176617044) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-(7-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-(7-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
PubChem CID176617044
Molecular FormulaC41H25N3O
Molecular Weight575.67 g/mol
Exact Mass575.20
IUPAC Name2-naphthalen-1-yl-4-(7-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3cc(-c5ccc6ccccc6c5)ccc34)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C41H25N3O/c1-2-11-28(12-3-1)39-42-40(44-41(43-39)36-16-8-14-27-10-6-7-15-33(27)36)32-20-22-35-34-21-19-31(24-37(34)45-38(35)25-32)30-18-17-26-9-4-5-13-29(26)23-30/h1-25H
InChIKeyONDSPYZTUXGZNU-UHFFFAOYSA-N
XLogP10.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-1-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 171597325
2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 165072136
2-naphthalen-1-yl-4-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 164798033
2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743379
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 168731861
2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 142491219
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176765189
2-naphthalen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 176616874
2-naphthalen-1-yl-4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 165098602
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170213966
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170213969
2-dibenzofuran-3-yl-4-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174244681

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-(7-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-naphthalen-1-yl-4-(7-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine (CID 176617044) is 2-naphthalen-1-yl-4-(7-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-1-yl-4-(7-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-1-yl-4-(7-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)oc3cc(-c5ccc6ccccc6c5)ccc34)nc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-4-(7-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is ONDSPYZTUXGZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-2-11-28(12-3-1)39-42-40(44-41(43-39)36-16-8-14-27-10-6-7-15-33(27)36)32-20-22-35-34-21-19-31(24-37(34)45-38(35)25-32)30-18-17-26-9-4-5-13-29(26)23-30/h1-25H.
What are the key properties of 2-naphthalen-1-yl-4-(7-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine?
2-naphthalen-1-yl-4-(7-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 575.67 g/mol, XLogP of 10.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4-(7-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 176617044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).