2-(2-phenylphenyl)benzene-1,3-didiazonium diperchlorate

C18H12Cl2N4O8 — CID 88746535

IUPAC2-(2-phenylphenyl)benzene-1,3-didiazonium diperchlorate
SMILESN#[N+]c1cccc([N+]#N)c1-c1ccccc1-c1ccccc1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C18H12N4.2ClHO4/c19-21-16-11-6-12-17(22-20)18(16)15-10-5-4-9-14(15)13-7-2-1-3-8-13;2*2-1(3,4)5/h1-12H;2*(H,2,3,4,5)/q+2;;/p-2
InChIKeyBWCUEGXNPWVMEZ-UHFFFAOYSA-L
MW483.22 g/mol
LogP-3.52
Rot. Bonds2

About 2-(2-phenylphenyl)benzene-1,3-didiazonium diperchlorate

2-(2-phenylphenyl)benzene-1,3-didiazonium diperchlorate (PubChem CID 88746535) has the molecular formula C18H12Cl2N4O8 and a molecular weight of 483.22 g/mol. Its IUPAC name is 2-(2-phenylphenyl)benzene-1,3-didiazonium diperchlorate.

Molecular Properties

Compound Name2-(2-phenylphenyl)benzene-1,3-didiazonium diperchlorate
PubChem CID88746535
Molecular FormulaC18H12Cl2N4O8
Molecular Weight483.22 g/mol
Exact Mass482.00
IUPAC Name2-(2-phenylphenyl)benzene-1,3-didiazonium diperchlorate
SMILESN#[N+]c1cccc([N+]#N)c1-c1ccccc1-c1ccccc1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C18H12N4.2ClHO4/c19-21-16-11-6-12-17(22-20)18(16)15-10-5-4-9-14(15)13-7-2-1-3-8-13;2*2-1(3,4)5/h1-12H;2*(H,2,3,4,5)/q+2;;/p-2
InChIKeyBWCUEGXNPWVMEZ-UHFFFAOYSA-L
XLogP-3.52
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.22
LogP ≤ 5-3.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-(2-phenylphenyl)benzene-1,3-didiazonium diperchlorate 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

2-(2-phenylphenyl)benzene-1,3-didiazonium
CID 88746536
3-phenylbenzene-1,2-didiazonium
CID 54366733
2-(2-phenylphenyl)benzene-1,3-diol
CID 66853518
1-methyl-4,8-diphenylazulene
CID 86056773
benzene-1,2-didiazonium
CID 22568635
2-(2-diazoniophenyl)-3,4,5,6-tetraphenylbenzenediazonium tetrafluoroborate
CID 88741603
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
4-phenylbenzene-1,3-didiazonium dichloride
CID 88741124
9,10-bis[2-(4-phenylphenyl)phenyl]anthracene
CID 59090311
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
CID 69011285
CID 69011285

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenyl)benzene-1,3-didiazonium diperchlorate?
The IUPAC name of 2-(2-phenylphenyl)benzene-1,3-didiazonium diperchlorate (CID 88746535) is 2-(2-phenylphenyl)benzene-1,3-didiazonium diperchlorate.
What is the SMILES notation for 2-(2-phenylphenyl)benzene-1,3-didiazonium diperchlorate?
The canonical SMILES for 2-(2-phenylphenyl)benzene-1,3-didiazonium diperchlorate is N#[N+]c1cccc([N+]#N)c1-c1ccccc1-c1ccccc1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2-(2-phenylphenyl)benzene-1,3-didiazonium diperchlorate?
The InChIKey is BWCUEGXNPWVMEZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H12N4.2ClHO4/c19-21-16-11-6-12-17(22-20)18(16)15-10-5-4-9-14(15)13-7-2-1-3-8-13;2*2-1(3,4)5/h1-12H;2*(H,2,3,4,5)/q+2;;/p-2.
What are the key properties of 2-(2-phenylphenyl)benzene-1,3-didiazonium diperchlorate?
2-(2-phenylphenyl)benzene-1,3-didiazonium diperchlorate has a molecular weight of 483.22 g/mol, XLogP of -3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylphenyl)benzene-1,3-didiazonium diperchlorate is sourced from PubChem (CID 88746535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).