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

C47H29N3O — CID 168731767

IUPAC2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5oc6ccccc6c45)c3)nc(-c3cccc4c(-c5cccc6ccccc56)cccc34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-2-14-31(15-3-1)45-48-46(33-18-8-17-32(29-33)35-21-12-28-43-44(35)41-20-6-7-27-42(41)51-43)50-47(49-45)40-26-11-24-38-37(23-10-25-39(38)40)36-22-9-16-30-13-4-5-19-34(30)36/h1-29H
InChIKeyRPHWNNHOFIDDMU-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

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

2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 168731767) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID168731767
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5oc6ccccc6c45)c3)nc(-c3cccc4c(-c5cccc6ccccc56)cccc34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-2-14-31(15-3-1)45-48-46(33-18-8-17-32(29-33)35-21-12-28-43-44(35)41-20-6-7-27-42(41)51-43)50-47(49-45)40-26-11-24-38-37(23-10-25-39(38)40)36-22-9-16-30-13-4-5-19-34(30)36/h1-29H
InChIKeyRPHWNNHOFIDDMU-UHFFFAOYSA-N
XLogP12.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 171731191
2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 171731278
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
CID 170213995
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-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442533
2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164942447
2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730911
2-dibenzofuran-1-yl-4-phenyl-6-[5-(9-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731902
2-dibenzofuran-1-yl-4-phenyl-6-[5-(6-phenylnaphthalen-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 176766233
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 168731826

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine (CID 168731767) is 2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4cccc5oc6ccccc6c45)c3)nc(-c3cccc4c(-c5cccc6ccccc56)cccc34)n2)cc1.
What is the InChIKey of 2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is RPHWNNHOFIDDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-2-14-31(15-3-1)45-48-46(33-18-8-17-32(29-33)35-21-12-28-43-44(35)41-20-6-7-27-42(41)51-43)50-47(49-45)40-26-11-24-38-37(23-10-25-39(38)40)36-22-9-16-30-13-4-5-19-34(30)36/h1-29H.
What are the key properties of 2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?
2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 651.77 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 168731767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).