N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-3,5-diphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline

C62H43NO — CID 170398270

IUPACN-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-3,5-diphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)cc3)c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C62H43NO/c1-4-17-44(18-5-1)52-40-53(45-19-6-2-7-20-45)42-56(41-52)63(54-35-31-46(32-36-54)49-24-16-25-50(39-49)62-43-51-23-10-15-30-61(51)64-62)55-37-33-48(34-38-55)58-27-12-14-29-60(58)59-28-13-11-26-57(59)47-21-8-3-9-22-47/h1-43H
InChIKeyWMUSQWMAXZAWOX-UHFFFAOYSA-N
MW818.03 g/mol
LogP17.57
Rot. Bonds10

About N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-3,5-diphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline

N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-3,5-diphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 170398270) has the molecular formula C62H43NO and a molecular weight of 818.03 g/mol. Its IUPAC name is N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-3,5-diphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-3,5-diphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
PubChem CID170398270
Molecular FormulaC62H43NO
Molecular Weight818.03 g/mol
Exact Mass817.33
IUPAC NameN-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-3,5-diphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)cc3)c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C62H43NO/c1-4-17-44(18-5-1)52-40-53(45-19-6-2-7-20-45)42-56(41-52)63(54-35-31-46(32-36-54)49-24-16-25-50(39-49)62-43-51-23-10-15-30-61(51)64-62)55-37-33-48(34-38-55)58-27-12-14-29-60(58)59-28-13-11-26-57(59)47-21-8-3-9-22-47/h1-43H
InChIKeyWMUSQWMAXZAWOX-UHFFFAOYSA-N
XLogP17.57
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.03
LogP ≤ 517.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170398609
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398057
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline
CID 170398451
N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170399541
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 170526268
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine
CID 170398146
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398306
4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline
CID 170398135
3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398602
3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 170398679

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-3,5-diphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The IUPAC name of N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-3,5-diphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline (CID 170398270) is N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-3,5-diphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-3,5-diphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-3,5-diphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)cc3)c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c2)cc1.
What is the InChIKey of N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-3,5-diphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The InChIKey is WMUSQWMAXZAWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43NO/c1-4-17-44(18-5-1)52-40-53(45-19-6-2-7-20-45)42-56(41-52)63(54-35-31-46(32-36-54)49-24-16-25-50(39-49)62-43-51-23-10-15-30-61(51)64-62)55-37-33-48(34-38-55)58-27-12-14-29-60(58)59-28-13-11-26-57(59)47-21-8-3-9-22-47/h1-43H.
What are the key properties of N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-3,5-diphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-3,5-diphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline has a molecular weight of 818.03 g/mol, XLogP of 17.57, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-3,5-diphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 170398270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).