2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

C45H27N3O2 — CID 168850281

IUPAC2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccccc4-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C45H27N3O2/c1-2-11-28(12-3-1)29-21-23-30(24-22-29)43-46-44(31-25-26-35-33-14-6-8-19-39(33)49-41(35)27-31)48-45(47-43)38-16-5-4-13-32(38)36-17-10-18-37-34-15-7-9-20-40(34)50-42(36)37/h1-27H
InChIKeySZDFSJZDVXIZEA-UHFFFAOYSA-N
MW641.73 g/mol
LogP12.01
Rot. Bonds5

About 2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 168850281) has the molecular formula C45H27N3O2 and a molecular weight of 641.73 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID168850281
Molecular FormulaC45H27N3O2
Molecular Weight641.73 g/mol
Exact Mass641.21
IUPAC Name2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccccc4-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C45H27N3O2/c1-2-11-28(12-3-1)29-21-23-30(24-22-29)43-46-44(31-25-26-35-33-14-6-8-19-39(33)49-41(35)27-31)48-45(47-43)38-16-5-4-13-32(38)36-17-10-18-37-34-15-7-9-20-40(34)50-42(36)37/h1-27H
InChIKeySZDFSJZDVXIZEA-UHFFFAOYSA-N
XLogP12.01
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.73
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377164
2-[7-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176773450
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160184
2-[6-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773535
2-[8-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192137
2-(4-dibenzofuran-3-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 167548643
2-[6-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192190
2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377329
2-dibenzofuran-4-yl-4-[4-(6-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 177269991
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476
2-phenyl-4-(7-phenyldibenzofuran-3-yl)-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155477108
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 137496589

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 168850281) is 2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccccc4-c4cccc5c4oc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is SZDFSJZDVXIZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O2/c1-2-11-28(12-3-1)29-21-23-30(24-22-29)43-46-44(31-25-26-35-33-14-6-8-19-39(33)49-41(35)27-31)48-45(47-43)38-16-5-4-13-32(38)36-17-10-18-37-34-15-7-9-20-40(34)50-42(36)37/h1-27H.
What are the key properties of 2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 641.73 g/mol, XLogP of 12.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 168850281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).