3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline

C64H43NO — CID 170535389

IUPAC3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc3)c2)cc1
InChIInChI=1S/C64H43NO/c1-3-13-44(14-4-1)53-39-54(45-15-5-2-6-16-45)41-55(40-53)48-31-36-57(37-32-48)65(58-20-11-19-51(42-58)52-33-38-64-62(43-52)61-22-9-10-24-63(61)66-64)56-34-29-47(30-35-56)46-25-27-50(28-26-46)60-23-12-18-49-17-7-8-21-59(49)60/h1-43H
InChIKeyVQWYWGNGHQKKHG-UHFFFAOYSA-N
MW842.05 g/mol
LogP18.21
Rot. Bonds9

About 3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline

3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline (PubChem CID 170535389) has the molecular formula C64H43NO and a molecular weight of 842.05 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
PubChem CID170535389
Molecular FormulaC64H43NO
Molecular Weight842.05 g/mol
Exact Mass841.33
IUPAC Name3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc3)c2)cc1
InChIInChI=1S/C64H43NO/c1-3-13-44(14-4-1)53-39-54(45-15-5-2-6-16-45)41-55(40-53)48-31-36-57(37-32-48)65(58-20-11-19-51(42-58)52-33-38-64-62(43-52)61-22-9-10-24-63(61)66-64)56-34-29-47(30-35-56)46-25-27-50(28-26-46)60-23-12-18-49-17-7-8-21-59(49)60/h1-43H
InChIKeyVQWYWGNGHQKKHG-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

Analyze 3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis(4-dibenzofuran-2-ylphenyl)-3,5-diphenylaniline;N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 157066218
3-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535241
N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157368464
6-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine
CID 118406083
N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 121325430
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N,N-bis[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(2-phenylphenyl)aniline;N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 161497099
2-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167323911
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
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 170535179
3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 164961326
8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine
CID 130208127

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline?
The IUPAC name of 3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline (CID 170535389) is 3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline.
What is the SMILES notation for 3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline?
The canonical SMILES for 3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc3)c2)cc1.
What is the InChIKey of 3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline?
The InChIKey is VQWYWGNGHQKKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NO/c1-3-13-44(14-4-1)53-39-54(45-15-5-2-6-16-45)41-55(40-53)48-31-36-57(37-32-48)65(58-20-11-19-51(42-58)52-33-38-64-62(43-52)61-22-9-10-24-63(61)66-64)56-34-29-47(30-35-56)46-25-27-50(28-26-46)60-23-12-18-49-17-7-8-21-59(49)60/h1-43H.
What are the key properties of 3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline?
3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]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 3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline is sourced from PubChem (CID 170535389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).