N,N-diphenyl-4-[4-[2-(N-phenylanilino)ethoxy]phenyl]aniline

C38H32N2O — CID 21019318

IUPACN,N-diphenyl-4-[4-[2-(N-phenylanilino)ethoxy]phenyl]aniline
SMILESc1ccc(N(CCOc2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C38H32N2O/c1-5-13-33(14-6-1)39(34-15-7-2-8-16-34)29-30-41-38-27-23-32(24-28-38)31-21-25-37(26-22-31)40(35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-28H,29-30H2
InChIKeyYTRQKOPHDHAZDC-UHFFFAOYSA-N
MW532.69 g/mol
LogP10.04
Rot. Bonds10

About N,N-diphenyl-4-[4-[2-(N-phenylanilino)ethoxy]phenyl]aniline

N,N-diphenyl-4-[4-[2-(N-phenylanilino)ethoxy]phenyl]aniline (PubChem CID 21019318) has the molecular formula C38H32N2O and a molecular weight of 532.69 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-[2-(N-phenylanilino)ethoxy]phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[4-[2-(N-phenylanilino)ethoxy]phenyl]aniline
PubChem CID21019318
Molecular FormulaC38H32N2O
Molecular Weight532.69 g/mol
Exact Mass532.25
IUPAC NameN,N-diphenyl-4-[4-[2-(N-phenylanilino)ethoxy]phenyl]aniline
SMILESc1ccc(N(CCOc2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C38H32N2O/c1-5-13-33(14-6-1)39(34-15-7-2-8-16-34)29-30-41-38-27-23-32(24-28-38)31-21-25-37(26-22-31)40(35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-28H,29-30H2
InChIKeyYTRQKOPHDHAZDC-UHFFFAOYSA-N
XLogP10.04
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

((4-((2-(4-Cyclohexylphenoxy)ethyl)ethylamino)-2-methylphenyl)methylene)malononitrile
CID 104687
4,4'-[(4-Methoxyphenyl)methylene]bis(N,N-dimethylaniline)
CID 348623
1-Methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]piperazine
CID 57672016
2,8-Dimethoxy-5-[4-[2-(1-piperidinyl)ethoxy]phenyl]-11,12-dihydro-6H-benzo[c]phenanthridine
CID 11071086
1-[2-(2-Benzyl-phenoxy)-ethyl]-4-phenyl-piperazine
CID 11406143
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(3-trityloxyphenyl)penta-1,4-dien-3-one
CID 54580170
4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]-N-(2-pyrrolidin-1-ylethyl)aniline
CID 162646855
4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]aniline
CID 162648190
4-[(E)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]-N-(2-morpholin-4-ylethyl)aniline
CID 162673587
4-({[3-(4-Methoxyphenyl)-3-phenylpropyl]amino}methyl)-N,N-dimethylaniline
CID 22331912
1,1',1'',1'''-(Methylenebis(p-phenylenenitrilo))tetrakis(3-(4-(1-methyl-1-(4-(oxiranylmethoxy)phenyl)ethyl)phenoxy)propan-2-ol)
CID 44149248
(1,1'-Biphenyl)-4,4'-diamine, N4,N4,N4',N4'-tetrakis(4-methoxyphenyl)-
CID 23069933

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-[2-(N-phenylanilino)ethoxy]phenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[4-[2-(N-phenylanilino)ethoxy]phenyl]aniline (CID 21019318) is N,N-diphenyl-4-[4-[2-(N-phenylanilino)ethoxy]phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[4-[2-(N-phenylanilino)ethoxy]phenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[4-[2-(N-phenylanilino)ethoxy]phenyl]aniline is c1ccc(N(CCOc2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[4-[2-(N-phenylanilino)ethoxy]phenyl]aniline?
The InChIKey is YTRQKOPHDHAZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2O/c1-5-13-33(14-6-1)39(34-15-7-2-8-16-34)29-30-41-38-27-23-32(24-28-38)31-21-25-37(26-22-31)40(35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-28H,29-30H2.
What are the key properties of N,N-diphenyl-4-[4-[2-(N-phenylanilino)ethoxy]phenyl]aniline?
N,N-diphenyl-4-[4-[2-(N-phenylanilino)ethoxy]phenyl]aniline has a molecular weight of 532.69 g/mol, XLogP of 10.04, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[4-[2-(N-phenylanilino)ethoxy]phenyl]aniline is sourced from PubChem (CID 21019318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).