2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine

C47H31N3O — CID 167007289

IUPAC2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)c2c(oc3ccccc23)C(c2ccc(-c3ccccc3)c3ccccc23)C1
InChIInChI=1S/C47H31N3O/c1-3-14-31(15-4-1)35-25-26-38(37-20-10-9-19-36(35)37)39-27-28-41(43-40-21-11-12-22-42(40)51-44(39)43)47-49-45(32-16-5-2-6-17-32)48-46(50-47)34-24-23-30-13-7-8-18-33(30)29-34/h1-26,28-29,39H,27H2
InChIKeyWEZKNGCYSYJHRZ-UHFFFAOYSA-N
MW653.79 g/mol
LogP11.89
Rot. Bonds5

About 2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine

2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 167007289) has the molecular formula C47H31N3O and a molecular weight of 653.79 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine
PubChem CID167007289
Molecular FormulaC47H31N3O
Molecular Weight653.79 g/mol
Exact Mass653.25
IUPAC Name2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)c2c(oc3ccccc23)C(c2ccc(-c3ccccc3)c3ccccc23)C1
InChIInChI=1S/C47H31N3O/c1-3-14-31(15-4-1)35-25-26-38(37-20-10-9-19-36(35)37)39-27-28-41(43-40-21-11-12-22-42(40)51-44(39)43)47-49-45(32-16-5-2-6-17-32)48-46(50-47)34-24-23-30-13-7-8-18-33(30)29-34/h1-26,28-29,39H,27H2
InChIKeyWEZKNGCYSYJHRZ-UHFFFAOYSA-N
XLogP11.89
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.79
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741483
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-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742408
2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743379
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177119872
2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174208954
2-naphthalen-2-yl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-3,4-dihydronaphthalen-1-yl]-1,3,5-triazine
CID 170145611
4-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
CID 166801287
2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163440403
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588100
2-(3-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172545501
2-dibenzofuran-3-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 139571676

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine (CID 167007289) is 2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine is C1=C(c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)c2c(oc3ccccc23)C(c2ccc(-c3ccccc3)c3ccccc23)C1.
What is the InChIKey of 2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is WEZKNGCYSYJHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3O/c1-3-14-31(15-4-1)35-25-26-38(37-20-10-9-19-36(35)37)39-27-28-41(43-40-21-11-12-22-42(40)51-44(39)43)47-49-45(32-16-5-2-6-17-32)48-46(50-47)34-24-23-30-13-7-8-18-33(30)29-34/h1-26,28-29,39H,27H2.
What are the key properties of 2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine?
2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 653.79 g/mol, XLogP of 11.89, 5 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-[4-(4-phenylnaphthalen-1-yl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 167007289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).