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

C57H35N3O2 — CID 177079021

IUPAC2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)c3)c(-c3ccccc3)c(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C57H35N3O2/c1-4-16-36(17-5-1)42-33-48(53(37-18-6-2-7-19-37)49(34-42)47-27-15-26-46-44-25-11-13-29-51(44)62-54(46)47)39-22-14-23-40(32-39)56-58-55(38-20-8-3-9-21-38)59-57(60-56)41-30-31-45-43-24-10-12-28-50(43)61-52(45)35-41/h1-35H
InChIKeyNHUAINUNCGFWDH-UHFFFAOYSA-N
MW793.93 g/mol
LogP15.34
Rot. Bonds7

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

2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 177079021) has the molecular formula C57H35N3O2 and a molecular weight of 793.93 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID177079021
Molecular FormulaC57H35N3O2
Molecular Weight793.93 g/mol
Exact Mass793.27
IUPAC Name2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)c3)c(-c3ccccc3)c(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C57H35N3O2/c1-4-16-36(17-5-1)42-33-48(53(37-18-6-2-7-19-37)49(34-42)47-27-15-26-46-44-25-11-13-29-51(44)62-54(46)47)39-22-14-23-40(32-39)56-58-55(38-20-8-3-9-21-38)59-57(60-56)41-30-31-45-43-24-10-12-28-50(43)61-52(45)35-41/h1-35H
InChIKeyNHUAINUNCGFWDH-UHFFFAOYSA-N
XLogP15.34
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.93
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177078968
2-[7-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176773450
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 177078939
2-dibenzofuran-4-yl-4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 177079173
2-[6-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773535
2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
CID 138691594
4-[4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 177079215
2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378467
2,4-diphenyl-6-[7-[4-(3-phenylphenyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170378711
2-phenyl-4-[7-(2-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170378592
2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850281
2-[6-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170364256

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine (CID 177079021) is 2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)c3)c(-c3ccccc3)c(-c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is NHUAINUNCGFWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O2/c1-4-16-36(17-5-1)42-33-48(53(37-18-6-2-7-19-37)49(34-42)47-27-15-26-46-44-25-11-13-29-51(44)62-54(46)47)39-22-14-23-40(32-39)56-58-55(38-20-8-3-9-21-38)59-57(60-56)41-30-31-45-43-24-10-12-28-50(43)61-52(45)35-41/h1-35H.
What are the key properties of 2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 793.93 g/mol, XLogP of 15.34, 7 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-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 177079021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).