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

C49H32N4O — CID 167157315

IUPAC2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccccc3-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C49H32N4O/c1-3-15-33(16-4-1)36-19-13-22-39(32-36)53(38-20-5-2-6-21-38)43-26-11-9-23-40(43)48-50-47(37-30-29-34-17-7-8-18-35(34)31-37)51-49(52-48)42-25-14-28-45-46(42)41-24-10-12-27-44(41)54-45/h1-32H
InChIKeyIYRRUQMOUIWGFP-UHFFFAOYSA-N
MW692.82 g/mol
LogP13.06
Rot. Bonds7

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

2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline (PubChem CID 167157315) has the molecular formula C49H32N4O and a molecular weight of 692.82 g/mol. Its IUPAC name is 2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound Name2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline
PubChem CID167157315
Molecular FormulaC49H32N4O
Molecular Weight692.82 g/mol
Exact Mass692.26
IUPAC Name2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccccc3-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C49H32N4O/c1-3-15-33(16-4-1)36-19-13-22-39(32-36)53(38-20-5-2-6-21-38)43-26-11-9-23-40(43)48-50-47(37-30-29-34-17-7-8-18-35(34)31-37)51-49(52-48)42-25-14-28-45-46(42)41-24-10-12-27-44(41)54-45/h1-32H
InChIKeyIYRRUQMOUIWGFP-UHFFFAOYSA-N
XLogP13.06
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.82
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 170535022
2-dibenzofuran-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324594
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 167324675
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
N-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325714
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 167324150
N-(4-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-phenanthren-3-ylaniline
CID 176810458
N-(4-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-phenanthren-2-ylaniline
CID 176810690

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline?
The IUPAC name of 2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline (CID 167157315) is 2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline.
What is the SMILES notation for 2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline?
The canonical SMILES for 2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline is c1ccc(-c2cccc(N(c3ccccc3)c3ccccc3-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1.
What is the InChIKey of 2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline?
The InChIKey is IYRRUQMOUIWGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4O/c1-3-15-33(16-4-1)36-19-13-22-39(32-36)53(38-20-5-2-6-21-38)43-26-11-9-23-40(43)48-50-47(37-30-29-34-17-7-8-18-35(34)31-37)51-49(52-48)42-25-14-28-45-46(42)41-24-10-12-27-44(41)54-45/h1-32H.
What are the key properties of 2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline?
2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline has a molecular weight of 692.82 g/mol, XLogP of 13.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 167157315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).