2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine

C45H27N3O — CID 176817695

IUPAC2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc3c4ccc(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc4oc3c3ccccc23)cc1
InChIInChI=1S/C45H27N3O/c1-2-12-30(13-3-1)39-27-40-35-25-24-31(26-41(35)49-42(40)36-21-9-8-20-34(36)39)43-46-44(37-22-10-16-28-14-4-6-18-32(28)37)48-45(47-43)38-23-11-17-29-15-5-7-19-33(29)38/h1-27H
InChIKeyPLGMOYNEOPKNDE-UHFFFAOYSA-N
MW625.73 g/mol
LogP11.90
Rot. Bonds4

About 2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine

2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine (PubChem CID 176817695) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine
PubChem CID176817695
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc3c4ccc(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc4oc3c3ccccc23)cc1
InChIInChI=1S/C45H27N3O/c1-2-12-30(13-3-1)39-27-40-35-25-24-31(26-41(35)49-42(40)36-21-9-8-20-34(36)39)43-46-44(37-22-10-16-28-14-4-6-18-32(28)37)48-45(47-43)38-23-11-17-29-15-5-7-19-33(29)38/h1-27H
InChIKeyPLGMOYNEOPKNDE-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

Analyze 2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-(4-naphthalen-1-ylphenyl)-4-phenyl-6-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine
CID 176818283
2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818458
2-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
CID 169048797
2-dibenzofuran-4-yl-4-phenyl-6-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-1,3,5-triazine
CID 176817867
2-dibenzofuran-1-yl-4-naphthalen-1-yl-6-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176818146
2-naphthalen-1-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 171597325
2-phenyl-4-(4-phenylphenyl)-6-[3-[9-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 176817791
2-phenyl-4-(7-phenyldibenzofuran-3-yl)-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155477108
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 176844444
2-dibenzofuran-2-yl-4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine
CID 169048833
2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 167143892
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 137496589

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine (CID 176817695) is 2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine is c1ccc(-c2cc3c4ccc(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc4oc3c3ccccc23)cc1.
What is the InChIKey of 2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine?
The InChIKey is PLGMOYNEOPKNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-2-12-30(13-3-1)39-27-40-35-25-24-31(26-41(35)49-42(40)36-21-9-8-20-34(36)39)43-46-44(37-22-10-16-28-14-4-6-18-32(28)37)48-45(47-43)38-23-11-17-29-15-5-7-19-33(29)38/h1-27H.
What are the key properties of 2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine?
2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-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 2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine is sourced from PubChem (CID 176817695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).