2-dibenzofuran-1-yl-4-[5-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-6-phenyl-1,3,5-triazine

C53H31N3O2 — CID 176844554

IUPAC2-dibenzofuran-1-yl-4-[5-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5cc(-c6ccc(-c7ccc8ccccc8c7)cc6)c6ccccc6c5c34)n2)cc1
InChIInChI=1S/C53H31N3O2/c1-2-13-35(14-3-1)51-54-52(41-19-10-22-45-48(41)40-18-8-9-21-44(40)57-45)56-53(55-51)42-20-11-23-46-50(42)49-39-17-7-6-16-38(39)43(31-47(49)58-46)34-27-24-33(25-28-34)37-29-26-32-12-4-5-15-36(32)30-37/h1-31H
InChIKeyFMUXDDQZQWURKE-UHFFFAOYSA-N
MW741.85 g/mol
LogP14.31
Rot. Bonds5

About 2-dibenzofuran-1-yl-4-[5-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-1-yl-4-[5-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-6-phenyl-1,3,5-triazine (PubChem CID 176844554) has the molecular formula C53H31N3O2 and a molecular weight of 741.85 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[5-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-[5-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-6-phenyl-1,3,5-triazine
PubChem CID176844554
Molecular FormulaC53H31N3O2
Molecular Weight741.85 g/mol
Exact Mass741.24
IUPAC Name2-dibenzofuran-1-yl-4-[5-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5cc(-c6ccc(-c7ccc8ccccc8c7)cc6)c6ccccc6c5c34)n2)cc1
InChIInChI=1S/C53H31N3O2/c1-2-13-35(14-3-1)51-54-52(41-19-10-22-45-48(41)40-18-8-9-21-44(40)57-45)56-53(55-51)42-20-11-23-46-50(42)49-39-17-7-6-16-38(39)43(31-47(49)58-46)34-27-24-33(25-28-34)37-29-26-32-12-4-5-15-36(32)30-37/h1-31H
InChIKeyFMUXDDQZQWURKE-UHFFFAOYSA-N
XLogP14.31
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.85
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[11-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 164979443
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-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713
2-dibenzofuran-1-yl-4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 169053839
2-dibenzofuran-1-yl-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 162504507
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588100
2-dibenzofuran-1-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 177130837
2-dibenzofuran-1-yl-4-[3-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 176766280

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-[5-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-[5-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-6-phenyl-1,3,5-triazine (CID 176844554) is 2-dibenzofuran-1-yl-4-[5-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-[5-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-[5-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5cc(-c6ccc(-c7ccc8ccccc8c7)cc6)c6ccccc6c5c34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-[5-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is FMUXDDQZQWURKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N3O2/c1-2-13-35(14-3-1)51-54-52(41-19-10-22-45-48(41)40-18-8-9-21-44(40)57-45)56-53(55-51)42-20-11-23-46-50(42)49-39-17-7-6-16-38(39)43(31-47(49)58-46)34-27-24-33(25-28-34)37-29-26-32-12-4-5-15-36(32)30-37/h1-31H.
What are the key properties of 2-dibenzofuran-1-yl-4-[5-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-[5-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 741.85 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-[5-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 176844554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).