[4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene

C19H22N4O2 — CID 5152218

IUPAC[4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(N3CCCCCCC3)cc2)cc1
InChIInChI=1S/C19H22N4O2/c24-23(25)19-12-8-17(9-13-19)21-20-16-6-10-18(11-7-16)22-14-4-2-1-3-5-15-22/h6-13H,1-5,14-15H2/b21-20+
InChIKeyXPLBGFPCVWZZRW-QZQOTICOSA-N
MW338.41 g/mol
LogP5.78
Rot. Bonds4

About [4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene

[4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene (PubChem CID 5152218) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene.

Molecular Properties

Compound Name[4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene
PubChem CID5152218
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name[4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(N3CCCCCCC3)cc2)cc1
InChIInChI=1S/C19H22N4O2/c24-23(25)19-12-8-17(9-13-19)21-20-16-6-10-18(11-7-16)22-14-4-2-1-3-5-15-22/h6-13H,1-5,14-15H2/b21-20+
InChIKeyXPLBGFPCVWZZRW-QZQOTICOSA-N
XLogP5.78
TPSA71.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene 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-[4-(4-nitrophenyl)phenyl]piperidine
CID 22899688
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl-(4-nitrophenyl)diazene
CID 599155
4-nitro-2-[(4-piperidin-1-ylphenyl)iminomethyl]phenolate
CID 7568863
4-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]diazenyl]benzoic acid
CID 129101829
phenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene
CID 19011238
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
1-[4-[(4-nitrophenyl)diazenyl]phenyl]pyrrole-2,5-dione
CID 101057085
1-(4-nitrophenyl)-4-pyrrolidin-1-ylpyrazole
CID 176615836
(4-nitrophenyl)-phenyldiazene
CID 17222
1-(4-nitrosophenyl)piperidine
CID 88954522
1,1-dimethyl-4-(4-nitrophenyl)-1,4-diazepan-1-ium chloride
CID 69429847

Frequently Asked Questions

What is the IUPAC name of [4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene?
The IUPAC name of [4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene (CID 5152218) is [4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene.
What is the SMILES notation for [4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene?
The canonical SMILES for [4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene is O=[N+]([O-])c1ccc(/N=N/c2ccc(N3CCCCCCC3)cc2)cc1.
What is the InChIKey of [4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene?
The InChIKey is XPLBGFPCVWZZRW-QZQOTICOSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-23(25)19-12-8-17(9-13-19)21-20-16-6-10-18(11-7-16)22-14-4-2-1-3-5-15-22/h6-13H,1-5,14-15H2/b21-20+.
What are the key properties of [4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene?
[4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene has a molecular weight of 338.41 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene is sourced from PubChem (CID 5152218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).