N-[4-(4-anilinooxyphenyl)phenoxy]aniline

C24H20N2O2 — CID 172689227

IUPACN-[4-(4-anilinooxyphenyl)phenoxy]aniline
SMILESc1ccc(NOc2ccc(-c3ccc(ONc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C24H20N2O2/c1-3-7-21(8-4-1)25-27-23-15-11-19(12-16-23)20-13-17-24(18-14-20)28-26-22-9-5-2-6-10-22/h1-18,25-26H
InChIKeyBLGQGIZNAGENSP-UHFFFAOYSA-N
MW368.44 g/mol
LogP6.17
Rot. Bonds7

About N-[4-(4-anilinooxyphenyl)phenoxy]aniline

N-[4-(4-anilinooxyphenyl)phenoxy]aniline (PubChem CID 172689227) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[4-(4-anilinooxyphenyl)phenoxy]aniline.

Molecular Properties

Compound NameN-[4-(4-anilinooxyphenyl)phenoxy]aniline
PubChem CID172689227
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC NameN-[4-(4-anilinooxyphenyl)phenoxy]aniline
SMILESc1ccc(NOc2ccc(-c3ccc(ONc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C24H20N2O2/c1-3-7-21(8-4-1)25-27-23-15-11-19(12-16-23)20-13-17-24(18-14-20)28-26-22-9-5-2-6-10-22/h1-18,25-26H
InChIKeyBLGQGIZNAGENSP-UHFFFAOYSA-N
XLogP6.17
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-N-phenoxybenzene-1,3-diamine
CID 90253580
N-(3-fluorophenoxy)aniline
CID 141068441
N-[3,5-bis(trifluoromethyl)phenoxy]aniline
CID 158887487
5-anilinooxyisoindole-1,3-dione
CID 20649375
benzene;N-methoxyaniline
CID 159505017
N-sulfanyloxyaniline
CID 141339499
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
1-methoxy-4-phenylbenzene cyanide
CID 159561637
(4-phenylphenoxy)methanol
CID 71028246
N-(4-phenylphenoxy)butan-1-amine
CID 89300996
lithium;hydride;1-phenyl-4-(4-phenylphenoxy)benzene
CID 175041898

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-anilinooxyphenyl)phenoxy]aniline?
The IUPAC name of N-[4-(4-anilinooxyphenyl)phenoxy]aniline (CID 172689227) is N-[4-(4-anilinooxyphenyl)phenoxy]aniline.
What is the SMILES notation for N-[4-(4-anilinooxyphenyl)phenoxy]aniline?
The canonical SMILES for N-[4-(4-anilinooxyphenyl)phenoxy]aniline is c1ccc(NOc2ccc(-c3ccc(ONc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-anilinooxyphenyl)phenoxy]aniline?
The InChIKey is BLGQGIZNAGENSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-3-7-21(8-4-1)25-27-23-15-11-19(12-16-23)20-13-17-24(18-14-20)28-26-22-9-5-2-6-10-22/h1-18,25-26H.
What are the key properties of N-[4-(4-anilinooxyphenyl)phenoxy]aniline?
N-[4-(4-anilinooxyphenyl)phenoxy]aniline has a molecular weight of 368.44 g/mol, XLogP of 6.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-anilinooxyphenyl)phenoxy]aniline is sourced from PubChem (CID 172689227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).