2-dibenzofuran-4-yl-N-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)aniline

C57H36N4O2 — CID 130327493

IUPAC2-dibenzofuran-4-yl-N-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)cc3)c3ccccc3-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C57H36N4O2/c1-3-15-37(16-4-1)38-29-33-41(34-30-38)61(49-25-10-7-19-43(49)45-22-13-23-46-44-20-8-11-26-50(44)63-54(45)46)42-35-31-40(32-36-42)56-58-55(39-17-5-2-6-18-39)59-57(60-56)48-24-14-28-52-53(48)47-21-9-12-27-51(47)62-52/h1-36H
InChIKeyFBXTUVCTNVXHPY-UHFFFAOYSA-N
MW808.94 g/mol
LogP15.48
Rot. Bonds8

About 2-dibenzofuran-4-yl-N-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)aniline

2-dibenzofuran-4-yl-N-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 130327493) has the molecular formula C57H36N4O2 and a molecular weight of 808.94 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-N-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-N-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID130327493
Molecular FormulaC57H36N4O2
Molecular Weight808.94 g/mol
Exact Mass808.28
IUPAC Name2-dibenzofuran-4-yl-N-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)cc3)c3ccccc3-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C57H36N4O2/c1-3-15-37(16-4-1)38-29-33-41(34-30-38)61(49-25-10-7-19-43(49)45-22-13-23-46-44-20-8-11-26-50(44)63-54(45)46)42-35-31-40(32-36-42)56-58-55(39-17-5-2-6-18-39)59-57(60-56)48-24-14-28-52-53(48)47-21-9-12-27-51(47)62-52/h1-36H
InChIKeyFBXTUVCTNVXHPY-UHFFFAOYSA-N
XLogP15.48
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.94
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742287
N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775368
1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 154938603
N-dibenzofuran-4-yl-1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176853627
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166952291
2-dibenzofuran-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741551
2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741910
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742839
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
2,4-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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-N-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-dibenzofuran-4-yl-N-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 130327493) is 2-dibenzofuran-4-yl-N-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-dibenzofuran-4-yl-N-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-dibenzofuran-4-yl-N-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)cc3)c3ccccc3-c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-N-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is FBXTUVCTNVXHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O2/c1-3-15-37(16-4-1)38-29-33-41(34-30-38)61(49-25-10-7-19-43(49)45-22-13-23-46-44-20-8-11-26-50(44)63-54(45)46)42-35-31-40(32-36-42)56-58-55(39-17-5-2-6-18-39)59-57(60-56)48-24-14-28-52-53(48)47-21-9-12-27-51(47)62-52/h1-36H.
What are the key properties of 2-dibenzofuran-4-yl-N-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)aniline?
2-dibenzofuran-4-yl-N-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 808.94 g/mol, XLogP of 15.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-N-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 130327493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).