9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide

C36H42Br2N2 — CID 9434

IUPAC9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide
SMILESC[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21.[Br-].[Br-]
InChIInChI=1S/C36H42N2.2BrH/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36;;/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyWDEFPRUEZRUYNW-UHFFFAOYSA-L
MW662.55 g/mol
LogP2.25
Rot. Bonds9

About 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide

9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide (PubChem CID 9434) has the molecular formula C36H42Br2N2 and a molecular weight of 662.55 g/mol. Its IUPAC name is 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide.

Molecular Properties

Compound Name9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide
PubChem CID9434
Molecular FormulaC36H42Br2N2
Molecular Weight662.55 g/mol
Exact Mass660.17
IUPAC Name9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide
SMILESC[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21.[Br-].[Br-]
InChIInChI=1S/C36H42N2.2BrH/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36;;/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyWDEFPRUEZRUYNW-UHFFFAOYSA-L
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500662.55
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium 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

Hexafluorenium
CID 3601
Dimefadane
CID 21760
1-Methyl-4-(3-phenyl-indan-1-yl)-piperazine
CID 44358098
N-(1-phenylethyl)-9H-fluoren-9-amine
CID 4782290
5-[9H-fluoren-9-yl(methyl)amino]-2,2-diphenylpentanenitrile;hydrochloride
CID 49796154
triethyl(9H-fluoren-9-yl)azanium
CID 58610621
Ammonium, decamethylenebis(diethyl-(9-fluorenyl)-, dibromide, hemihydrate
CID 45723
N~1~,N~10~-Di(9H-fluoren-9-yl)-N~1~,N~1~,N~10~,N~10~-tetramethyldecane-1,10-bis(aminium) dibromide
CID 45725
N~1~,N~1~,N~6~,N~6~-Tetraethyl-N~1~,N~6~-di(9H-fluoren-9-yl)hexane-1,6-bis(aminium) dibromide
CID 46056
N~1~,N~6~-Bis(2-(9H-fluoren-9-yl)ethyl)-N~1~,N~1~,N~6~,N~6~-tetramethylhexane-1,6-bis(aminium) dibromide
CID 46337
1-(9H-fluoren-9-yl)-4-[(2-fluorophenyl)methyl]piperazine
CID 3499619
1-(9H-fluoren-9-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 3672918

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide?
The IUPAC name of 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide (CID 9434) is 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide.
What is the SMILES notation for 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide?
The canonical SMILES for 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide is C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21.[Br-].[Br-].
What is the InChIKey of 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide?
The InChIKey is WDEFPRUEZRUYNW-UHFFFAOYSA-L. The full InChI is InChI=1S/C36H42N2.2BrH/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36;;/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3;2*1H/q+2;;/p-2.
What are the key properties of 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide?
9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide has a molecular weight of 662.55 g/mol, XLogP of 2.25, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide is sourced from PubChem (CID 9434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).