2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine

C45H27N3O — CID 168731826

IUPAC2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4c(-c5cccc6ccccc56)cccc34)nc(-c3cccc4oc5cc6ccccc6cc5c34)n2)cc1
InChIInChI=1S/C45H27N3O/c1-2-13-29(14-3-1)43-46-44(37-23-10-21-35-34(20-9-22-36(35)37)33-19-8-17-28-12-6-7-18-32(28)33)48-45(47-43)38-24-11-25-40-42(38)39-26-30-15-4-5-16-31(30)27-41(39)49-40/h1-27H
InChIKeyUXNOCVHJNGTRBN-UHFFFAOYSA-N
MW625.73 g/mol
LogP11.90
Rot. Bonds4

About 2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine

2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine (PubChem CID 168731826) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine
PubChem CID168731826
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4c(-c5cccc6ccccc56)cccc34)nc(-c3cccc4oc5cc6ccccc6cc5c34)n2)cc1
InChIInChI=1S/C45H27N3O/c1-2-13-29(14-3-1)43-46-44(37-23-10-21-35-34(20-9-22-36(35)37)33-19-8-17-28-12-6-7-18-32(28)33)48-45(47-43)38-24-11-25-40-42(38)39-26-30-15-4-5-16-31(30)27-41(39)49-40/h1-27H
InChIKeyUXNOCVHJNGTRBN-UHFFFAOYSA-N
XLogP11.90
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-4-(8-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 174316506
[3-(4-naphthalen-1-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
CID 168730415
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-(9-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742190
2-naphthalen-2-yl-4-(8-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 174316507
2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731767
2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 164951936
2-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 146660856
2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 163727437
2,4-dinaphthalen-1-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165088234
2,4-dinaphthalen-1-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 163440305
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine
CID 170017177

Frequently Asked Questions

What is the IUPAC name of 2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine (CID 168731826) is 2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4c(-c5cccc6ccccc56)cccc34)nc(-c3cccc4oc5cc6ccccc6cc5c34)n2)cc1.
What is the InChIKey of 2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine?
The InChIKey is UXNOCVHJNGTRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-2-13-29(14-3-1)43-46-44(37-23-10-21-35-34(20-9-22-36(35)37)33-19-8-17-28-12-6-7-18-32(28)33)48-45(47-43)38-24-11-25-40-42(38)39-26-30-15-4-5-16-31(30)27-41(39)49-40/h1-27H.
What are the key properties of 2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine?
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine has a molecular weight of 625.73 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 168731826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).