4-icosylbenzenediazonium;zinc;dichloride

C26H45Cl2N2Zn- — CID 161323035

IUPAC4-icosylbenzenediazonium;zinc;dichloride
SMILESCCCCCCCCCCCCCCCCCCCCc1ccc([N+]#N)cc1.[Cl-].[Cl-].[Zn]
InChIInChI=1S/C26H45N2.2ClH.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-23-26(28-27)24-22-25;;;/h21-24H,2-20H2,1H3;2*1H;/q+1;;;/p-2
InChIKeyAGYUCYZFTPJAQH-UHFFFAOYSA-L
MW521.96 g/mol
LogP3.76
Rot. Bonds19

About 4-icosylbenzenediazonium;zinc;dichloride

4-icosylbenzenediazonium;zinc;dichloride (PubChem CID 161323035) has the molecular formula C26H45Cl2N2Zn- and a molecular weight of 521.96 g/mol. Its IUPAC name is 4-icosylbenzenediazonium;zinc;dichloride.

Molecular Properties

Compound Name4-icosylbenzenediazonium;zinc;dichloride
PubChem CID161323035
Molecular FormulaC26H45Cl2N2Zn-
Molecular Weight521.96 g/mol
Exact Mass519.23
IUPAC Name4-icosylbenzenediazonium;zinc;dichloride
SMILESCCCCCCCCCCCCCCCCCCCCc1ccc([N+]#N)cc1.[Cl-].[Cl-].[Zn]
InChIInChI=1S/C26H45N2.2ClH.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-23-26(28-27)24-22-25;;;/h21-24H,2-20H2,1H3;2*1H;/q+1;;;/p-2
InChIKeyAGYUCYZFTPJAQH-UHFFFAOYSA-L
XLogP3.76
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.96
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-icosylbenzenediazonium;zinc;dichloride 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

4-hexadecylbenzenediazonium chloride
CID 88673679
1-butyl-4-nonylbenzene
CID 59545302
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
4-nonadec-18-enylbenzenediazonium
CID 88673652
1-methyl-4-octylbenzene
CID 11052746
CID 59759292
CID 59759292
CID 59957588
CID 59957588
1-iodo-4-octadecylbenzene
CID 141122271
bis(4-hexylphenyl)tin
CID 177496129

Frequently Asked Questions

What is the IUPAC name of 4-icosylbenzenediazonium;zinc;dichloride?
The IUPAC name of 4-icosylbenzenediazonium;zinc;dichloride (CID 161323035) is 4-icosylbenzenediazonium;zinc;dichloride.
What is the SMILES notation for 4-icosylbenzenediazonium;zinc;dichloride?
The canonical SMILES for 4-icosylbenzenediazonium;zinc;dichloride is CCCCCCCCCCCCCCCCCCCCc1ccc([N+]#N)cc1.[Cl-].[Cl-].[Zn].
What is the InChIKey of 4-icosylbenzenediazonium;zinc;dichloride?
The InChIKey is AGYUCYZFTPJAQH-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H45N2.2ClH.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-23-26(28-27)24-22-25;;;/h21-24H,2-20H2,1H3;2*1H;/q+1;;;/p-2.
What are the key properties of 4-icosylbenzenediazonium;zinc;dichloride?
4-icosylbenzenediazonium;zinc;dichloride has a molecular weight of 521.96 g/mol, XLogP of 3.76, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-icosylbenzenediazonium;zinc;dichloride is sourced from PubChem (CID 161323035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).