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

C47H29N3O — CID 170016833

IUPAC2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5oc6ccccc6c45)c3)nc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)n2)cc1
InChIInChI=1S/C47H29N3O/c1-2-11-31(12-3-1)45-48-46(38-15-8-14-37(29-38)40-17-9-19-43-44(40)41-16-6-7-18-42(41)51-43)50-47(49-45)39-25-24-35-27-34(22-23-36(35)28-39)33-21-20-30-10-4-5-13-32(30)26-33/h1-29H
InChIKeyFPBZQRPECBNUSD-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

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

2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine (PubChem CID 170016833) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
PubChem CID170016833
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5oc6ccccc6c45)c3)nc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)n2)cc1
InChIInChI=1S/C47H29N3O/c1-2-11-31(12-3-1)45-48-46(38-15-8-14-37(29-38)40-17-9-19-43-44(40)41-16-6-7-18-42(41)51-43)50-47(49-45)39-25-24-35-27-34(22-23-36(35)28-39)33-21-20-30-10-4-5-13-32(30)26-33/h1-29H
InChIKeyFPBZQRPECBNUSD-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-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741628
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-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172545501
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-(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-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797715
2-dibenzofuran-3-yl-4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 176765102
2-naphthalen-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 177273064
2-(3-naphthalen-2-ylphenyl)-4-phenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164798209
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-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine (CID 170016833) is 2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4cccc5oc6ccccc6c45)c3)nc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)n2)cc1.
What is the InChIKey of 2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is FPBZQRPECBNUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-2-11-31(12-3-1)45-48-46(38-15-8-14-37(29-38)40-17-9-19-43-44(40)41-16-6-7-18-42(41)51-43)50-47(49-45)39-25-24-35-27-34(22-23-36(35)28-39)33-21-20-30-10-4-5-13-32(30)26-33/h1-29H.
What are the key properties of 2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine?
2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-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-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170016833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).