11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide

C20H30Br2N4 — CID 73438592

IUPAC11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide
SMILES[Br-].[Br-].c1c[n+]2ccc1NCCCCCNc1cc[n+](cc1)CCCCC2
InChIInChI=1S/C20H28N4.2BrH/c1-3-11-21-19-7-15-23(16-8-19)13-5-2-6-14-24-17-9-20(10-18-24)22-12-4-1;;/h7-10,15-18H,1-6,11-14H2;2*1H
InChIKeyBSSNAJXNLIKJBR-UHFFFAOYSA-N
MW486.30 g/mol
LogP-2.85
Rot. Bonds

About 11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide

11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide (PubChem CID 73438592) has the molecular formula C20H30Br2N4 and a molecular weight of 486.30 g/mol. Its IUPAC name is 11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide.

Molecular Properties

Compound Name11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide
PubChem CID73438592
Molecular FormulaC20H30Br2N4
Molecular Weight486.30 g/mol
Exact Mass484.08
IUPAC Name11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide
SMILES[Br-].[Br-].c1c[n+]2ccc1NCCCCCNc1cc[n+](cc1)CCCCC2
InChIInChI=1S/C20H28N4.2BrH/c1-3-11-21-19-7-15-23(16-8-19)13-5-2-6-14-24-17-9-20(10-18-24)22-12-4-1;;/h7-10,15-18H,1-6,11-14H2;2*1H
InChIKeyBSSNAJXNLIKJBR-UHFFFAOYSA-N
XLogP-2.85
TPSA31.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.30
LogP ≤ 5-2.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide 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-Aminopyridine
CID 1727
4-(Dimethylamino)pyridine
CID 14284
Bis(2-pyridylmethyl)amine
CID 73759
1,10-Bis(pyridinium)-decane dibromide
CID 201563
1-(4-Pyridyl)piperazine
CID 70517
Piperazine, 2-pyridylethyl-
CID 566605
Pyridinium, 1,1'-(1,2-ethanediyl)bis-, bromide (1:2)
CID 70157
2-(2-Anilinoethyl)pyridine
CID 236796
1-(Pyridin-3-yl)piperazine
CID 437234
N,N'-Di-4-pyridinylurea
CID 1082704
4-(Methylamino)pyridine
CID 123098
1,4'-Bipyridinium, chloride, hydrochloride (1:1:1)
CID 79461

Frequently Asked Questions

What is the IUPAC name of 11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide?
The IUPAC name of 11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide (CID 73438592) is 11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide.
What is the SMILES notation for 11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide?
The canonical SMILES for 11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide is [Br-].[Br-].c1c[n+]2ccc1NCCCCCNc1cc[n+](cc1)CCCCC2.
What is the InChIKey of 11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide?
The InChIKey is BSSNAJXNLIKJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4.2BrH/c1-3-11-21-19-7-15-23(16-8-19)13-5-2-6-14-24-17-9-20(10-18-24)22-12-4-1;;/h7-10,15-18H,1-6,11-14H2;2*1H.
What are the key properties of 11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide?
11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide has a molecular weight of 486.30 g/mol, XLogP of -2.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide is sourced from PubChem (CID 73438592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).