2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine

C51H29N3O3 — CID 166845989

IUPAC2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)oc4cccc(-c6cccc7oc8ccccc8c67)c45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C51H29N3O3/c1-2-11-31(12-3-1)49-52-50(54-51(53-49)40-18-8-17-37-34-13-4-6-19-41(34)57-48(37)40)32-25-23-30(24-26-32)33-27-28-39-45(29-33)56-44-22-10-16-36(47(39)44)35-15-9-21-43-46(35)38-14-5-7-20-42(38)55-43/h1-29H
InChIKeyFQBZCYHLVAGUND-UHFFFAOYSA-N
MW731.81 g/mol
LogP13.90
Rot. Bonds5

About 2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 166845989) has the molecular formula C51H29N3O3 and a molecular weight of 731.81 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID166845989
Molecular FormulaC51H29N3O3
Molecular Weight731.81 g/mol
Exact Mass731.22
IUPAC Name2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)oc4cccc(-c6cccc7oc8ccccc8c67)c45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C51H29N3O3/c1-2-11-31(12-3-1)49-52-50(54-51(53-49)40-18-8-17-37-34-13-4-6-19-41(34)57-48(37)40)32-25-23-30(24-26-32)33-27-28-39-45(29-33)56-44-22-10-16-36(47(39)44)35-15-9-21-43-46(35)38-14-5-7-20-42(38)55-43/h1-29H
InChIKeyFQBZCYHLVAGUND-UHFFFAOYSA-N
XLogP13.90
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.81
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-4-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741541
2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377329
2-(7-dibenzofuran-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952829
2-dibenzofuran-4-yl-4-phenyl-6-(7-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166952539
2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 163803934
2-[9-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 170192844
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160184
2-dibenzofuran-3-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 166952205
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476
2-dibenzofuran-4-yl-4-[4-(6-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 177269991
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-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine (CID 166845989) is 2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)oc4cccc(-c6cccc7oc8ccccc8c67)c45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is FQBZCYHLVAGUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O3/c1-2-11-31(12-3-1)49-52-50(54-51(53-49)40-18-8-17-37-34-13-4-6-19-41(34)57-48(37)40)32-25-23-30(24-26-32)33-27-28-39-45(29-33)56-44-22-10-16-36(47(39)44)35-15-9-21-43-46(35)38-14-5-7-20-42(38)55-43/h1-29H.
What are the key properties of 2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 731.81 g/mol, XLogP of 13.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 166845989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).