N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline

C64H43NO — CID 172503073

IUPACN-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccccc3N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc(-c4cccc5ccccc45)c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C64H43NO/c1-3-18-44(19-4-1)48-38-41-57(61(43-48)46-20-5-2-6-21-46)55-27-9-10-28-56(55)58-29-11-13-34-62(58)65(51-25-15-24-49(42-51)53-31-16-23-45-22-7-8-26-52(45)53)50-39-36-47(37-40-50)54-32-17-33-60-59-30-12-14-35-63(59)66-64(54)60/h1-43H
InChIKeyLEGLDOALGFRILY-UHFFFAOYSA-N
MW842.05 g/mol
LogP18.21
Rot. Bonds9

About N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline

N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline (PubChem CID 172503073) has the molecular formula C64H43NO and a molecular weight of 842.05 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
PubChem CID172503073
Molecular FormulaC64H43NO
Molecular Weight842.05 g/mol
Exact Mass841.33
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccccc3N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc(-c4cccc5ccccc45)c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C64H43NO/c1-3-18-44(19-4-1)48-38-41-57(61(43-48)46-20-5-2-6-21-46)55-27-9-10-28-56(55)58-29-11-13-34-62(58)65(51-25-15-24-49(42-51)53-31-16-23-45-22-7-8-26-52(45)53)50-39-36-47(37-40-50)54-32-17-33-60-59-30-12-14-35-63(59)66-64(54)60/h1-43H
InChIKeyLEGLDOALGFRILY-UHFFFAOYSA-N
XLogP18.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.05
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501677
3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 164831619
N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501323
N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 172503187
N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501519
2-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325834
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[4-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501754
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-5-naphthalen-1-yl-2-phenylaniline
CID 167235611
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649
2-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176763153
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172503058

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline (CID 172503073) is N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline is c1ccc(-c2ccc(-c3ccccc3-c3ccccc3N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc(-c4cccc5ccccc45)c3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline?
The InChIKey is LEGLDOALGFRILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NO/c1-3-18-44(19-4-1)48-38-41-57(61(43-48)46-20-5-2-6-21-46)55-27-9-10-28-56(55)58-29-11-13-34-62(58)65(51-25-15-24-49(42-51)53-31-16-23-45-22-7-8-26-52(45)53)50-39-36-47(37-40-50)54-32-17-33-60-59-30-12-14-35-63(59)66-64(54)60/h1-43H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline?
N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline has a molecular weight of 842.05 g/mol, XLogP of 18.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 172503073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).