2-(2-dibenzofuran-2-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol

C47H29N3O2 — CID 170926983

IUPAC2-(2-dibenzofuran-2-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol
SMILESOc1cccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1-c1ccccc1-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C47H29N3O2/c51-41-18-9-17-39(44(41)38-16-6-5-14-36(38)33-24-25-43-40(28-33)37-15-7-8-19-42(37)52-43)47-49-45(34-22-20-29-10-1-3-12-31(29)26-34)48-46(50-47)35-23-21-30-11-2-4-13-32(30)27-35/h1-28,51H
InChIKeyZEAMJGFCEQVMTE-UHFFFAOYSA-N
MW667.77 g/mol
LogP12.12
Rot. Bonds5

About 2-(2-dibenzofuran-2-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol

2-(2-dibenzofuran-2-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol (PubChem CID 170926983) has the molecular formula C47H29N3O2 and a molecular weight of 667.77 g/mol. Its IUPAC name is 2-(2-dibenzofuran-2-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol.

Molecular Properties

Compound Name2-(2-dibenzofuran-2-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol
PubChem CID170926983
Molecular FormulaC47H29N3O2
Molecular Weight667.77 g/mol
Exact Mass667.23
IUPAC Name2-(2-dibenzofuran-2-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol
SMILESOc1cccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1-c1ccccc1-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C47H29N3O2/c51-41-18-9-17-39(44(41)38-16-6-5-14-36(38)33-24-25-43-40(28-33)37-15-7-8-19-42(37)52-43)47-49-45(34-22-20-29-10-1-3-12-31(29)26-34)48-46(50-47)35-23-21-30-11-2-4-13-32(30)27-35/h1-28,51H
InChIKeyZEAMJGFCEQVMTE-UHFFFAOYSA-N
XLogP12.12
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.77
LogP ≤ 512.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-dibenzofuran-1-ylphenyl)-3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol
CID 170926710
2-(4-dibenzofuran-4-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol
CID 170927072
2-(3-dibenzofuran-1-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol
CID 170927286
2-[2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536112
2-(2-dibenzofuran-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545420
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 170210787
2-(3-dibenzofuran-2-ylphenyl)-3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenol
CID 170926697
2-dibenzofuran-2-yl-4-(3-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 171445256
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166742865
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazine
CID 158181891
2-(3-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545376
2,4-dinaphthalen-2-yl-6-(8-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166742708

Frequently Asked Questions

What is the IUPAC name of 2-(2-dibenzofuran-2-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol?
The IUPAC name of 2-(2-dibenzofuran-2-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol (CID 170926983) is 2-(2-dibenzofuran-2-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol.
What is the SMILES notation for 2-(2-dibenzofuran-2-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol?
The canonical SMILES for 2-(2-dibenzofuran-2-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol is Oc1cccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1-c1ccccc1-c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-(2-dibenzofuran-2-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol?
The InChIKey is ZEAMJGFCEQVMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O2/c51-41-18-9-17-39(44(41)38-16-6-5-14-36(38)33-24-25-43-40(28-33)37-15-7-8-19-42(37)52-43)47-49-45(34-22-20-29-10-1-3-12-31(29)26-34)48-46(50-47)35-23-21-30-11-2-4-13-32(30)27-35/h1-28,51H.
What are the key properties of 2-(2-dibenzofuran-2-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol?
2-(2-dibenzofuran-2-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol has a molecular weight of 667.77 g/mol, XLogP of 12.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dibenzofuran-2-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol is sourced from PubChem (CID 170926983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).