2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine

C53H33N3O — CID 166742908

IUPAC2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccc(-c8cccc9ccccc89)cc7)nc(-c7ccc8ccccc8c7)n6)c5c4c3)cc2)cc1
InChIInChI=1S/C53H33N3O/c1-2-10-34(11-3-1)36-20-22-37(23-21-36)42-30-31-48-47(33-42)50-46(18-9-19-49(50)57-48)53-55-51(54-52(56-53)43-29-24-35-12-4-5-14-41(35)32-43)40-27-25-39(26-28-40)45-17-8-15-38-13-6-7-16-44(38)45/h1-33H
InChIKeyFLPSAPVVCHHZBF-UHFFFAOYSA-N
MW727.87 g/mol
LogP14.08
Rot. Bonds6

About 2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine

2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 166742908) has the molecular formula C53H33N3O and a molecular weight of 727.87 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID166742908
Molecular FormulaC53H33N3O
Molecular Weight727.87 g/mol
Exact Mass727.26
IUPAC Name2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccc(-c8cccc9ccccc89)cc7)nc(-c7ccc8ccccc8c7)n6)c5c4c3)cc2)cc1
InChIInChI=1S/C53H33N3O/c1-2-10-34(11-3-1)36-20-22-37(23-21-36)42-30-31-48-47(33-42)50-46(18-9-19-49(50)57-48)53-55-51(54-52(56-53)43-29-24-35-12-4-5-14-41(35)32-43)40-27-25-39(26-28-40)45-17-8-15-38-13-6-7-16-44(38)45/h1-33H
InChIKeyFLPSAPVVCHHZBF-UHFFFAOYSA-N
XLogP14.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-naphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166741458
2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-[2-(8-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 166743108
2-naphthalen-2-yl-4-(8-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741491
2-(8-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742412
2-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134198448
2-[7-[8-(3,5-diphenylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 167181759
2-naphthalen-2-yl-4-[10-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164707567
2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170016716
2,4-dinaphthalen-2-yl-6-(8-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166742708
2-[5-(8-naphthalen-2-yldibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742938
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743692
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (CID 166742908) is 2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccc(-c8cccc9ccccc89)cc7)nc(-c7ccc8ccccc8c7)n6)c5c4c3)cc2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is FLPSAPVVCHHZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O/c1-2-10-34(11-3-1)36-20-22-37(23-21-36)42-30-31-48-47(33-42)50-46(18-9-19-49(50)57-48)53-55-51(54-52(56-53)43-29-24-35-12-4-5-14-41(35)32-43)40-27-25-39(26-28-40)45-17-8-15-38-13-6-7-16-44(38)45/h1-33H.
What are the key properties of 2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 727.87 g/mol, XLogP of 14.08, 6 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-(4-naphthalen-1-ylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 166742908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).