4-(4-nitrophenoxy)-N,N-diphenylaniline

C24H18N2O3 — CID 132556433

IUPAC4-(4-nitrophenoxy)-N,N-diphenylaniline
SMILESO=[N+]([O-])c1ccc(Oc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H18N2O3/c27-26(28)22-13-17-24(18-14-22)29-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-18H
InChIKeyCQMYLSZRNGYGKN-UHFFFAOYSA-N
MW382.42 g/mol
LogP6.86
Rot. Bonds6

About 4-(4-nitrophenoxy)-N,N-diphenylaniline

4-(4-nitrophenoxy)-N,N-diphenylaniline (PubChem CID 132556433) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-(4-nitrophenoxy)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(4-nitrophenoxy)-N,N-diphenylaniline
PubChem CID132556433
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name4-(4-nitrophenoxy)-N,N-diphenylaniline
SMILESO=[N+]([O-])c1ccc(Oc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H18N2O3/c27-26(28)22-13-17-24(18-14-22)29-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-18H
InChIKeyCQMYLSZRNGYGKN-UHFFFAOYSA-N
XLogP6.86
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-nitro-N-phenylaniline
CID 11287619
isothiocyanic acid;1-nitro-4-phenoxybenzene
CID 87949800
2-(4-nitrophenoxy)cyclohepta-2,4,6-trien-1-one
CID 71333814
1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine;1-N-(4-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N-(4-nitrophenyl)-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 158367114
4-[3-(4-nitrophenyl)phenyl]-N,N-bis[4-[3-(4-nitrophenyl)phenyl]phenyl]aniline
CID 59757686
1,2-dinitrobenzene;N,N-diphenylaniline
CID 174468566
4-nitro-1-N-(4-nitrophenyl)-1-N-phenylbenzene-1,2-diamine
CID 176657563
1-(4-nitrophenoxy)-4-[2-[4-(4-nitrophenoxy)phenyl]ethyl]benzene
CID 139816663
N-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-3-tritioaniline
CID 59196878
1-N,4-N-diphenyl-1-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-4-N-(3-tritiophenyl)benzene-1,4-diamine
CID 59197003
N-(4-nitrophenyl)-4-[4-[4-(N-(4-nitrophenyl)anilino)phenyl]-2,1,3-benzothiadiazol-7-yl]-N-phenylaniline
CID 177492463
2-chloro-1-(4-nitrophenyl)-1-phenylhydrazine
CID 88837156

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenoxy)-N,N-diphenylaniline?
The IUPAC name of 4-(4-nitrophenoxy)-N,N-diphenylaniline (CID 132556433) is 4-(4-nitrophenoxy)-N,N-diphenylaniline.
What is the SMILES notation for 4-(4-nitrophenoxy)-N,N-diphenylaniline?
The canonical SMILES for 4-(4-nitrophenoxy)-N,N-diphenylaniline is O=[N+]([O-])c1ccc(Oc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(4-nitrophenoxy)-N,N-diphenylaniline?
The InChIKey is CQMYLSZRNGYGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3/c27-26(28)22-13-17-24(18-14-22)29-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-18H.
What are the key properties of 4-(4-nitrophenoxy)-N,N-diphenylaniline?
4-(4-nitrophenoxy)-N,N-diphenylaniline has a molecular weight of 382.42 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenoxy)-N,N-diphenylaniline is sourced from PubChem (CID 132556433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).