N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline

C66H47N — CID 172501038

IUPACN-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5ccccc5-c5ccccc5)cc4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C66H47N/c1-5-21-48(22-6-1)54-45-55(49-23-7-2-8-24-49)47-56(46-54)50-37-41-57(42-38-50)67(58-43-39-53(40-44-58)60-30-14-13-29-59(60)51-25-9-3-10-26-51)66-36-20-19-35-65(66)64-34-18-17-33-63(64)62-32-16-15-31-61(62)52-27-11-4-12-28-52/h1-47H
InChIKeyJIVYQPLHKQVZRY-UHFFFAOYSA-N
MW854.11 g/mol
LogP18.49
Rot. Bonds11

About N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline

N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline (PubChem CID 172501038) has the molecular formula C66H47N and a molecular weight of 854.11 g/mol. Its IUPAC name is N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
PubChem CID172501038
Molecular FormulaC66H47N
Molecular Weight854.11 g/mol
Exact Mass853.37
IUPAC NameN-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5ccccc5-c5ccccc5)cc4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C66H47N/c1-5-21-48(22-6-1)54-45-55(49-23-7-2-8-24-49)47-56(46-54)50-37-41-57(42-38-50)67(58-43-39-53(40-44-58)60-30-14-13-29-59(60)51-25-9-3-10-26-51)66-36-20-19-35-65(66)64-34-18-17-33-63(64)62-32-16-15-31-61(62)52-27-11-4-12-28-52/h1-47H
InChIKeyJIVYQPLHKQVZRY-UHFFFAOYSA-N
XLogP18.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.11
LogP ≤ 518.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172501823
N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502867
N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502615
N,N-bis(4-phenylphenyl)-2-[2-[2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 163940661
N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 87182000
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502893
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3,5-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172501510
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254123
N-[4-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172502016
N-phenyl-2-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172502156
N-[4-[2-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665575

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline (CID 172501038) is N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5ccccc5-c5ccccc5)cc4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c2)cc1.
What is the InChIKey of N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline?
The InChIKey is JIVYQPLHKQVZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H47N/c1-5-21-48(22-6-1)54-45-55(49-23-7-2-8-24-49)47-56(46-54)50-37-41-57(42-38-50)67(58-43-39-53(40-44-58)60-30-14-13-29-59(60)51-25-9-3-10-26-51)66-36-20-19-35-65(66)64-34-18-17-33-63(64)62-32-16-15-31-61(62)52-27-11-4-12-28-52/h1-47H.
What are the key properties of N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline?
N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline has a molecular weight of 854.11 g/mol, XLogP of 18.49, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 172501038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).