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

C63H39N3O — CID 171439520

IUPAC2-[3-(3-dibenzofuran-1-yl-4-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-1-yl-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine
SMILESc1cc(-c2ccc(-c3ccc4ccccc4c3)c(-c3cccc4oc5ccccc5c34)c2)cc(-c2nc(-c3cccc(-c4cccc5ccccc45)c3)nc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C63H39N3O/c1-2-17-43-36-47(33-32-40(43)14-1)53-35-34-45(39-57(53)54-28-13-31-59-60(54)56-26-7-8-30-58(56)67-59)44-20-9-22-48(37-44)61-64-62(66-63(65-61)55-29-12-19-42-16-4-6-25-51(42)55)49-23-10-21-46(38-49)52-27-11-18-41-15-3-5-24-50(41)52/h1-39H
InChIKeyQARQWPWQNRZRCC-UHFFFAOYSA-N
MW854.03 g/mol
LogP16.90
Rot. Bonds7

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

2-[3-(3-dibenzofuran-1-yl-4-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-1-yl-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine (PubChem CID 171439520) has the molecular formula C63H39N3O and a molecular weight of 854.03 g/mol. Its IUPAC name is 2-[3-(3-dibenzofuran-1-yl-4-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-1-yl-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(3-dibenzofuran-1-yl-4-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-1-yl-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine
PubChem CID171439520
Molecular FormulaC63H39N3O
Molecular Weight854.03 g/mol
Exact Mass853.31
IUPAC Name2-[3-(3-dibenzofuran-1-yl-4-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-1-yl-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine
SMILESc1cc(-c2ccc(-c3ccc4ccccc4c3)c(-c3cccc4oc5ccccc5c34)c2)cc(-c2nc(-c3cccc(-c4cccc5ccccc45)c3)nc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C63H39N3O/c1-2-17-43-36-47(33-32-40(43)14-1)53-35-34-45(39-57(53)54-28-13-31-59-60(54)56-26-7-8-30-58(56)67-59)44-20-9-22-48(37-44)61-64-62(66-63(65-61)55-29-12-19-42-16-4-6-25-51(42)55)49-23-10-21-46(38-49)52-27-11-18-41-15-3-5-24-50(41)52/h1-39H
InChIKeyQARQWPWQNRZRCC-UHFFFAOYSA-N
XLogP16.90
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.03
LogP ≤ 516.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172545501
2-dibenzofuran-1-yl-4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 177112862
2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 171731191
2-dibenzofuran-1-yl-4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 169053839
2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 171731278
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 171607648
2-naphthalen-2-yl-4-[4-(8-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 167182694
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588100
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-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743109
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165088202

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-dibenzofuran-1-yl-4-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-1-yl-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-(3-dibenzofuran-1-yl-4-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-1-yl-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine (CID 171439520) is 2-[3-(3-dibenzofuran-1-yl-4-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-1-yl-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-(3-dibenzofuran-1-yl-4-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-1-yl-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-(3-dibenzofuran-1-yl-4-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-1-yl-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine is c1cc(-c2ccc(-c3ccc4ccccc4c3)c(-c3cccc4oc5ccccc5c34)c2)cc(-c2nc(-c3cccc(-c4cccc5ccccc45)c3)nc(-c3cccc4ccccc34)n2)c1.
What is the InChIKey of 2-[3-(3-dibenzofuran-1-yl-4-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-1-yl-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine?
The InChIKey is QARQWPWQNRZRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N3O/c1-2-17-43-36-47(33-32-40(43)14-1)53-35-34-45(39-57(53)54-28-13-31-59-60(54)56-26-7-8-30-58(56)67-59)44-20-9-22-48(37-44)61-64-62(66-63(65-61)55-29-12-19-42-16-4-6-25-51(42)55)49-23-10-21-46(38-49)52-27-11-18-41-15-3-5-24-50(41)52/h1-39H.
What are the key properties of 2-[3-(3-dibenzofuran-1-yl-4-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-1-yl-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine?
2-[3-(3-dibenzofuran-1-yl-4-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-1-yl-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine has a molecular weight of 854.03 g/mol, XLogP of 16.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-dibenzofuran-1-yl-4-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-1-yl-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 171439520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).