N,N-bis[4-(4-aminophenyl)phenyl]-4-nitrobenzamide

C31H24N4O3 — CID 141325798

IUPACN,N-bis[4-(4-aminophenyl)phenyl]-4-nitrobenzamide
SMILESNc1ccc(-c2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccc(-c4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C31H24N4O3/c32-26-11-1-21(2-12-26)23-5-15-28(16-6-23)34(31(36)25-9-19-30(20-10-25)35(37)38)29-17-7-24(8-18-29)22-3-13-27(33)14-4-22/h1-20H,32-33H2
InChIKeyWNEWKQPKKXODSF-UHFFFAOYSA-N
MW500.56 g/mol
LogP7.07
Rot. Bonds6

About N,N-bis[4-(4-aminophenyl)phenyl]-4-nitrobenzamide

N,N-bis[4-(4-aminophenyl)phenyl]-4-nitrobenzamide (PubChem CID 141325798) has the molecular formula C31H24N4O3 and a molecular weight of 500.56 g/mol. Its IUPAC name is N,N-bis[4-(4-aminophenyl)phenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN,N-bis[4-(4-aminophenyl)phenyl]-4-nitrobenzamide
PubChem CID141325798
Molecular FormulaC31H24N4O3
Molecular Weight500.56 g/mol
Exact Mass500.18
IUPAC NameN,N-bis[4-(4-aminophenyl)phenyl]-4-nitrobenzamide
SMILESNc1ccc(-c2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccc(-c4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C31H24N4O3/c32-26-11-1-21(2-12-26)23-5-15-28(16-6-23)34(31(36)25-9-19-30(20-10-25)35(37)38)29-17-7-24(8-18-29)22-3-13-27(33)14-4-22/h1-20H,32-33H2
InChIKeyWNEWKQPKKXODSF-UHFFFAOYSA-N
XLogP7.07
TPSA115.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.56
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)ethanone;1-(4-nitrophenyl)ethanone
CID 174531319
4-nitro-N-(4-propan-2-ylphenyl)benzohydrazide
CID 54315898
4-amino-N-methoxy-N-methylbenzamide;carbanide;methane;N-methoxy-N-methyl-4-nitrobenzamide;palladium
CID 162020244
bis(4-nitrophenyl)carbamic acid
CID 20515803
methanamine;4-nitroaniline
CID 22708932
sodium;hydride;4-nitroaniline
CID 174897540
4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide
CID 91087652
dihydroxy(oxo)phosphanium;4-nitroaniline
CID 174379615
arsoric acid;tris(4-nitroaniline)
CID 175201940
4-nitroaniline;perchloric acid
CID 86177986
molecular nitrogen;4-nitroaniline;hydrochloride
CID 175091269
4-[2-(4-nitrophenyl)-4-(1,2,2-triphenylethenyl)phenyl]aniline
CID 174747150

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(4-aminophenyl)phenyl]-4-nitrobenzamide?
The IUPAC name of N,N-bis[4-(4-aminophenyl)phenyl]-4-nitrobenzamide (CID 141325798) is N,N-bis[4-(4-aminophenyl)phenyl]-4-nitrobenzamide.
What is the SMILES notation for N,N-bis[4-(4-aminophenyl)phenyl]-4-nitrobenzamide?
The canonical SMILES for N,N-bis[4-(4-aminophenyl)phenyl]-4-nitrobenzamide is Nc1ccc(-c2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccc(-c4ccc(N)cc4)cc3)cc2)cc1.
What is the InChIKey of N,N-bis[4-(4-aminophenyl)phenyl]-4-nitrobenzamide?
The InChIKey is WNEWKQPKKXODSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N4O3/c32-26-11-1-21(2-12-26)23-5-15-28(16-6-23)34(31(36)25-9-19-30(20-10-25)35(37)38)29-17-7-24(8-18-29)22-3-13-27(33)14-4-22/h1-20H,32-33H2.
What are the key properties of N,N-bis[4-(4-aminophenyl)phenyl]-4-nitrobenzamide?
N,N-bis[4-(4-aminophenyl)phenyl]-4-nitrobenzamide has a molecular weight of 500.56 g/mol, XLogP of 7.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(4-aminophenyl)phenyl]-4-nitrobenzamide is sourced from PubChem (CID 141325798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).