2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine

C51H33N3O — CID 164942447

IUPAC2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5cccc(-c6cccc7oc8ccccc8c67)c5)nc(-c5ccccc5-c5ccccc5)n4)cc3)cc2)cc1
InChIInChI=1S/C51H33N3O/c1-3-13-34(14-4-1)35-25-27-36(28-26-35)37-29-31-39(32-30-37)49-52-50(54-51(53-49)44-20-8-7-19-42(44)38-15-5-2-6-16-38)41-18-11-17-40(33-41)43-22-12-24-47-48(43)45-21-9-10-23-46(45)55-47/h1-33H
InChIKeyWTHFEJRLKVGFFZ-UHFFFAOYSA-N
MW703.85 g/mol
LogP13.44
Rot. Bonds7

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

2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 164942447) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID164942447
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC Name2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5cccc(-c6cccc7oc8ccccc8c67)c5)nc(-c5ccccc5-c5ccccc5)n4)cc3)cc2)cc1
InChIInChI=1S/C51H33N3O/c1-3-13-34(14-4-1)35-25-27-36(28-26-35)37-29-31-39(32-30-37)49-52-50(54-51(53-49)44-20-8-7-19-42(44)38-15-5-2-6-16-38)41-18-11-17-40(33-41)43-22-12-24-47-48(43)45-21-9-10-23-46(45)55-47/h1-33H
InChIKeyWTHFEJRLKVGFFZ-UHFFFAOYSA-N
XLogP13.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942372
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425244
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
2-[3,5-di(dibenzofuran-1-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942695
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540
2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-(2-naphthalen-2-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 171731179
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2,4-diphenyl-6-[2-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 161265664
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-dibenzofuran-4-yl-1,3,5-triazine
CID 165081213
4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine (CID 164942447) is 2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc(-c4nc(-c5cccc(-c6cccc7oc8ccccc8c67)c5)nc(-c5ccccc5-c5ccccc5)n4)cc3)cc2)cc1.
What is the InChIKey of 2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is WTHFEJRLKVGFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-3-13-34(14-4-1)35-25-27-36(28-26-35)37-29-31-39(32-30-37)49-52-50(54-51(53-49)44-20-8-7-19-42(44)38-15-5-2-6-16-38)41-18-11-17-40(33-41)43-22-12-24-47-48(43)45-21-9-10-23-46(45)55-47/h1-33H.
What are the key properties of 2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 703.85 g/mol, XLogP of 13.44, 7 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-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 164942447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).