2-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline

C54H37NO — CID 170665979

IUPAC2-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3cccc(-c4ccccc4)c3-c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C54H37NO/c1-5-17-38(18-6-1)40-31-34-44(35-32-40)55(49-36-33-43(39-19-7-2-8-20-39)37-48(49)42-23-11-4-12-24-42)50-28-15-26-45(41-21-9-3-10-22-41)53(50)47-27-16-30-52-54(47)46-25-13-14-29-51(46)56-52/h1-37H
InChIKeyDPTNTAQUVLWBKP-UHFFFAOYSA-N
MW715.90 g/mol
LogP15.39
Rot. Bonds8

About 2-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline

2-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 170665979) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
PubChem CID170665979
Molecular FormulaC54H37NO
Molecular Weight715.90 g/mol
Exact Mass715.29
IUPAC Name2-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3cccc(-c4ccccc4)c3-c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C54H37NO/c1-5-17-38(18-6-1)40-31-34-44(35-32-40)55(49-36-33-43(39-19-7-2-8-20-39)37-48(49)42-23-11-4-12-24-42)50-28-15-26-45(41-21-9-3-10-22-41)53(50)47-27-16-30-52-54(47)46-25-13-14-29-51(46)56-52/h1-37H
InChIKeyDPTNTAQUVLWBKP-UHFFFAOYSA-N
XLogP15.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789602
N-(4-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170294710
N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine
CID 146582237
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172502312
N-(4-dibenzofuran-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789235
N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503032
N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186946
N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168791089
N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186765
N-(2-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170294756
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186962
N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 158387257

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline (CID 170665979) is 2-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3cccc(-c4ccccc4)c3-c3cccc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is DPTNTAQUVLWBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-5-17-38(18-6-1)40-31-34-44(35-32-40)55(49-36-33-43(39-19-7-2-8-20-39)37-48(49)42-23-11-4-12-24-42)50-28-15-26-45(41-21-9-3-10-22-41)53(50)47-27-16-30-52-54(47)46-25-13-14-29-51(46)56-52/h1-37H.
What are the key properties of 2-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline?
2-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 715.90 g/mol, XLogP of 15.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170665979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).