6-(4-aminophenyl)-2,3-bis(4-nitrophenyl)aniline

C24H18N4O4 — CID 174929403

IUPAC6-(4-aminophenyl)-2,3-bis(4-nitrophenyl)aniline
SMILESNc1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc([N+](=O)[O-])cc3)c2N)cc1
InChIInChI=1S/C24H18N4O4/c25-18-7-1-16(2-8-18)22-14-13-21(15-3-9-19(10-4-15)27(29)30)23(24(22)26)17-5-11-20(12-6-17)28(31)32/h1-14H,25-26H2
InChIKeyBSQQELPWIBVQAX-UHFFFAOYSA-N
MW426.43 g/mol
LogP5.67
Rot. Bonds5

About 6-(4-aminophenyl)-2,3-bis(4-nitrophenyl)aniline

6-(4-aminophenyl)-2,3-bis(4-nitrophenyl)aniline (PubChem CID 174929403) has the molecular formula C24H18N4O4 and a molecular weight of 426.43 g/mol. Its IUPAC name is 6-(4-aminophenyl)-2,3-bis(4-nitrophenyl)aniline.

Molecular Properties

Compound Name6-(4-aminophenyl)-2,3-bis(4-nitrophenyl)aniline
PubChem CID174929403
Molecular FormulaC24H18N4O4
Molecular Weight426.43 g/mol
Exact Mass426.13
IUPAC Name6-(4-aminophenyl)-2,3-bis(4-nitrophenyl)aniline
SMILESNc1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc([N+](=O)[O-])cc3)c2N)cc1
InChIInChI=1S/C24H18N4O4/c25-18-7-1-16(2-8-18)22-14-13-21(15-3-9-19(10-4-15)27(29)30)23(24(22)26)17-5-11-20(12-6-17)28(31)32/h1-14H,25-26H2
InChIKeyBSQQELPWIBVQAX-UHFFFAOYSA-N
XLogP5.67
TPSA138.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.43
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze 6-(4-aminophenyl)-2,3-bis(4-nitrophenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-2-(4-nitrophenyl)anthracene-9,10-dione
CID 174815967
methanamine;4-nitroaniline
CID 22708932
sodium;hydride;4-nitroaniline
CID 174897540
2,6-difluoro-3-(4-nitrophenyl)aniline
CID 165455095
4-nitroaniline;perchloric acid
CID 86177986
molecular nitrogen;4-nitroaniline;hydrochloride
CID 175091269
2,3-bis(4-nitrophenyl)naphthalen-1-amine
CID 139604402
methane;1,3,5-trimethyl-2-(4-nitrophenyl)benzene;4-(2,4,6-trimethylphenyl)aniline;hydrochloride
CID 159571615
iodomethane;4-methylaniline;bis(1-methyl-4-nitrobenzene)
CID 160667909
arsoric acid;tris(4-nitroaniline)
CID 175201940
dihydroxy(oxo)phosphanium;4-nitroaniline
CID 174379615
4-[2-(4-nitrophenyl)-4-(1,2,2-triphenylethenyl)phenyl]aniline
CID 174747150

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenyl)-2,3-bis(4-nitrophenyl)aniline?
The IUPAC name of 6-(4-aminophenyl)-2,3-bis(4-nitrophenyl)aniline (CID 174929403) is 6-(4-aminophenyl)-2,3-bis(4-nitrophenyl)aniline.
What is the SMILES notation for 6-(4-aminophenyl)-2,3-bis(4-nitrophenyl)aniline?
The canonical SMILES for 6-(4-aminophenyl)-2,3-bis(4-nitrophenyl)aniline is Nc1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc([N+](=O)[O-])cc3)c2N)cc1.
What is the InChIKey of 6-(4-aminophenyl)-2,3-bis(4-nitrophenyl)aniline?
The InChIKey is BSQQELPWIBVQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4/c25-18-7-1-16(2-8-18)22-14-13-21(15-3-9-19(10-4-15)27(29)30)23(24(22)26)17-5-11-20(12-6-17)28(31)32/h1-14H,25-26H2.
What are the key properties of 6-(4-aminophenyl)-2,3-bis(4-nitrophenyl)aniline?
6-(4-aminophenyl)-2,3-bis(4-nitrophenyl)aniline has a molecular weight of 426.43 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenyl)-2,3-bis(4-nitrophenyl)aniline is sourced from PubChem (CID 174929403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).