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

C47H29N3O2 — CID 170927286

IUPAC2-(3-dibenzofuran-1-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol
SMILESOc1cccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1-c1cccc(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C47H29N3O2/c51-40-19-8-18-39(43(40)34-15-7-14-33(28-34)37-17-9-21-42-44(37)38-16-5-6-20-41(38)52-42)47-49-45(35-24-22-29-10-1-3-12-31(29)26-35)48-46(50-47)36-25-23-30-11-2-4-13-32(30)27-36/h1-28,51H
InChIKeyMQPOHLKAFWIVSQ-UHFFFAOYSA-N
MW667.77 g/mol
LogP12.12
Rot. Bonds5

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

2-(3-dibenzofuran-1-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol (PubChem CID 170927286) has the molecular formula C47H29N3O2 and a molecular weight of 667.77 g/mol. Its IUPAC name is 2-(3-dibenzofuran-1-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol.

Molecular Properties

Compound Name2-(3-dibenzofuran-1-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol
PubChem CID170927286
Molecular FormulaC47H29N3O2
Molecular Weight667.77 g/mol
Exact Mass667.23
IUPAC Name2-(3-dibenzofuran-1-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol
SMILESOc1cccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1-c1cccc(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C47H29N3O2/c51-40-19-8-18-39(43(40)34-15-7-14-33(28-34)37-17-9-21-42-44(37)38-16-5-6-20-41(38)52-42)47-49-45(35-24-22-29-10-1-3-12-31(29)26-35)48-46(50-47)36-25-23-30-11-2-4-13-32(30)27-36/h1-28,51H
InChIKeyMQPOHLKAFWIVSQ-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-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170016833
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
2-(3-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172545501
2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-(2-naphthalen-2-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 171731179
2-dibenzofuran-1-yl-4-[3-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 176766280
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741628
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 146918323
2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737139
2-(6-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine
CID 166743635
2-(2-dibenzofuran-2-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol
CID 170926983

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-1-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol?
The IUPAC name of 2-(3-dibenzofuran-1-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol (CID 170927286) is 2-(3-dibenzofuran-1-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol.
What is the SMILES notation for 2-(3-dibenzofuran-1-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol?
The canonical SMILES for 2-(3-dibenzofuran-1-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol is Oc1cccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1-c1cccc(-c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of 2-(3-dibenzofuran-1-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol?
The InChIKey is MQPOHLKAFWIVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O2/c51-40-19-8-18-39(43(40)34-15-7-14-33(28-34)37-17-9-21-42-44(37)38-16-5-6-20-41(38)52-42)47-49-45(35-24-22-29-10-1-3-12-31(29)26-35)48-46(50-47)36-25-23-30-11-2-4-13-32(30)27-36/h1-28,51H.
What are the key properties of 2-(3-dibenzofuran-1-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol?
2-(3-dibenzofuran-1-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-(3-dibenzofuran-1-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol is sourced from PubChem (CID 170927286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).