N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline

C56H39NO — CID 170398415

IUPACN-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccccc4-c4cc5ccccc5o4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C56H39NO/c1-5-17-40(18-6-1)46-33-47(41-19-7-2-8-20-41)36-51(35-46)57(52-37-48(42-21-9-3-10-22-42)34-49(38-52)43-23-11-4-12-24-43)50-31-29-44(30-32-50)53-26-14-15-27-54(53)56-39-45-25-13-16-28-55(45)58-56/h1-39H
InChIKeyBWCOJYHIWFUQOZ-UHFFFAOYSA-N
MW741.93 g/mol
LogP15.90
Rot. Bonds9

About N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline

N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline (PubChem CID 170398415) has the molecular formula C56H39NO and a molecular weight of 741.93 g/mol. Its IUPAC name is N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline.

Molecular Properties

Compound NameN-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline
PubChem CID170398415
Molecular FormulaC56H39NO
Molecular Weight741.93 g/mol
Exact Mass741.30
IUPAC NameN-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccccc4-c4cc5ccccc5o4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C56H39NO/c1-5-17-40(18-6-1)46-33-47(41-19-7-2-8-20-41)36-51(35-46)57(52-37-48(42-21-9-3-10-22-42)34-49(38-52)43-23-11-4-12-24-43)50-31-29-44(30-32-50)53-26-14-15-27-54(53)56-39-45-25-13-16-28-55(45)58-56/h1-39H
InChIKeyBWCOJYHIWFUQOZ-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)phenyl]phenyl]-3,5-diphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170398270
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
4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]-N-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170400028
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
N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170398609
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 170526096
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 170398318

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline?
The IUPAC name of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline (CID 170398415) is N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline.
What is the SMILES notation for N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline?
The canonical SMILES for N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccccc4-c4cc5ccccc5o4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline?
The InChIKey is BWCOJYHIWFUQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39NO/c1-5-17-40(18-6-1)46-33-47(41-19-7-2-8-20-41)36-51(35-46)57(52-37-48(42-21-9-3-10-22-42)34-49(38-52)43-23-11-4-12-24-43)50-31-29-44(30-32-50)53-26-14-15-27-54(53)56-39-45-25-13-16-28-55(45)58-56/h1-39H.
What are the key properties of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline?
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline 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 N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline is sourced from PubChem (CID 170398415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).