2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline

C48H34N2O — CID 118534074

IUPAC2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline
SMILESc1ccc(Nc2ccccc2-c2cccc(-c3ccc(-c4ccccc4Nc4cccc(-c5ccc6c(c5)oc5ccccc56)c4)cc3)c2)cc1
InChIInChI=1S/C48H34N2O/c1-2-15-39(16-3-1)49-46-22-8-5-19-42(46)38-14-10-12-35(30-38)33-24-26-34(27-25-33)41-18-4-7-21-45(41)50-40-17-11-13-36(31-40)37-28-29-44-43-20-6-9-23-47(43)51-48(44)32-37/h1-32,49-50H
InChIKeyOFHDQKZVKWXNAD-UHFFFAOYSA-N
MW654.81 g/mol
LogP13.74
Rot. Bonds8

About 2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline

2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline (PubChem CID 118534074) has the molecular formula C48H34N2O and a molecular weight of 654.81 g/mol. Its IUPAC name is 2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline.

Molecular Properties

Compound Name2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline
PubChem CID118534074
Molecular FormulaC48H34N2O
Molecular Weight654.81 g/mol
Exact Mass654.27
IUPAC Name2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline
SMILESc1ccc(Nc2ccccc2-c2cccc(-c3ccc(-c4ccccc4Nc4cccc(-c5ccc6c(c5)oc5ccccc56)c4)cc3)c2)cc1
InChIInChI=1S/C48H34N2O/c1-2-15-39(16-3-1)49-46-22-8-5-19-42(46)38-14-10-12-35(30-38)33-24-26-34(27-25-33)41-18-4-7-21-45(41)50-40-17-11-13-36(31-40)37-28-29-44-43-20-6-9-23-47(43)51-48(44)32-37/h1-32,49-50H
InChIKeyOFHDQKZVKWXNAD-UHFFFAOYSA-N
XLogP13.74
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.81
LogP ≤ 513.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzofuran-2-ylphenyl)-2-phenylaniline
CID 121360316
N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 135167428
N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163590855
2-[3-[3-[2-[3-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-N-phenylaniline
CID 129054632
2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline
CID 118176553
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740
N-(2-dibenzofuran-3-ylphenyl)-10-phenylanthracen-9-amine
CID 90128096
N-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298496
8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176759717
N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 170108986
2-phenyl-N-[2-(3-phenylphenyl)phenyl]aniline
CID 90370372
2-N,8-N-bis(2-phenylphenyl)dibenzofuran-2,8-diamine
CID 141309629

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline?
The IUPAC name of 2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline (CID 118534074) is 2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline.
What is the SMILES notation for 2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline?
The canonical SMILES for 2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline is c1ccc(Nc2ccccc2-c2cccc(-c3ccc(-c4ccccc4Nc4cccc(-c5ccc6c(c5)oc5ccccc56)c4)cc3)c2)cc1.
What is the InChIKey of 2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline?
The InChIKey is OFHDQKZVKWXNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2O/c1-2-15-39(16-3-1)49-46-22-8-5-19-42(46)38-14-10-12-35(30-38)33-24-26-34(27-25-33)41-18-4-7-21-45(41)50-40-17-11-13-36(31-40)37-28-29-44-43-20-6-9-23-47(43)51-48(44)32-37/h1-32,49-50H.
What are the key properties of 2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline?
2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline has a molecular weight of 654.81 g/mol, XLogP of 13.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline is sourced from PubChem (CID 118534074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).