4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]-N-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline

C56H39NO — CID 170400028

IUPAC4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]-N-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5-c5ccccc5-c5ccccc5)cc4)cc3)cc2-c2cc3ccccc3o2)cc1
InChIInChI=1S/C56H39NO/c1-4-16-41(17-5-1)49-23-11-13-25-52(49)53-26-14-12-24-50(53)43-30-35-48(36-31-43)57(46-21-8-3-9-22-46)47-33-28-40(29-34-47)44-32-37-51(42-18-6-2-7-19-42)54(38-44)56-39-45-20-10-15-27-55(45)58-56/h1-39H
InChIKeyYXZQSUQBADJVBU-UHFFFAOYSA-N
MW741.93 g/mol
LogP15.90
Rot. Bonds9

About 4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]-N-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline

4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]-N-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 170400028) has the molecular formula C56H39NO and a molecular weight of 741.93 g/mol. Its IUPAC name is 4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]-N-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]-N-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
PubChem CID170400028
Molecular FormulaC56H39NO
Molecular Weight741.93 g/mol
Exact Mass741.30
IUPAC Name4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]-N-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5-c5ccccc5-c5ccccc5)cc4)cc3)cc2-c2cc3ccccc3o2)cc1
InChIInChI=1S/C56H39NO/c1-4-16-41(17-5-1)49-23-11-13-25-52(49)53-26-14-12-24-50(53)43-30-35-48(36-31-43)57(46-21-8-3-9-22-46)47-33-28-40(29-34-47)44-32-37-51(42-18-6-2-7-19-42)54(38-44)56-39-45-20-10-15-27-55(45)58-56/h1-39H
InChIKeyYXZQSUQBADJVBU-UHFFFAOYSA-N
XLogP15.90
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.93
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170399776
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline
CID 170398451
N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 170526148
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398306
4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170399764
4-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170398268
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline
CID 170398415
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-3,5-diphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170398270
N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170400127
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 170526137
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 170399711
2-(1-benzofuran-2-yl)-N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170398915

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]-N-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The IUPAC name of 4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]-N-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline (CID 170400028) is 4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]-N-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for 4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]-N-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for 4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]-N-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5-c5ccccc5-c5ccccc5)cc4)cc3)cc2-c2cc3ccccc3o2)cc1.
What is the InChIKey of 4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]-N-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The InChIKey is YXZQSUQBADJVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39NO/c1-4-16-41(17-5-1)49-23-11-13-25-52(49)53-26-14-12-24-50(53)43-30-35-48(36-31-43)57(46-21-8-3-9-22-46)47-33-28-40(29-34-47)44-32-37-51(42-18-6-2-7-19-42)54(38-44)56-39-45-20-10-15-27-55(45)58-56/h1-39H.
What are the key properties of 4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]-N-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]-N-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline has a molecular weight of 741.93 g/mol, XLogP of 15.90, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]-N-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 170400028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).