Hexafluronium

Name: Hexafluronium — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₃₆H₄₂N₂+2 — CID 3601

💊View drug profile → hexafluronium

Data last refreshed: 2026-04-14 (MolForge compound catalog, from PubChem)

IUPAC9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium

SMILESC[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21

InChIInChI=1S/C36H42N2/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/q+2

InChIKeyHDZAQYPYABGTCL-UHFFFAOYSA-N

MW502.75 g/mol

LogP8.24

Rot. Bonds9

About Hexafluronium

Hexafluronium (PubChem CID 3601) has the molecular formula C₃₆H₄₂N₂+2 and a molecular weight of 502.75 g/mol. Its IUPAC name is 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium.

Molecular Properties

Compound Name	Hexafluronium
PubChem CID	3601
Molecular Formula	C₃₆H₄₂N₂+2
Molecular Weight	502.75 g/mol
Exact Mass	502.33
IUPAC Name	9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium
SMILES	C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21
InChI	InChI=1S/C36H42N2/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/q+2
InChIKey	HDZAQYPYABGTCL-UHFFFAOYSA-N
XLogP	8.24
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds	9
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.75
LogP ≤ 5	8.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Hexafluronium?

The IUPAC name of Hexafluronium (CID 3601) is 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium.

What is the SMILES notation for Hexafluronium?

The canonical SMILES for Hexafluronium is C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21.

What is the InChIKey of Hexafluronium?

The InChIKey is HDZAQYPYABGTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42N2/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/q+2.

What are the key properties of Hexafluronium?

Hexafluronium has a molecular weight of 502.75 g/mol, XLogP of 8.24, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Hexafluronium is sourced from PubChem (CID 3601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: H · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 3601 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 1365 — approved-drug record (CC BY-SA 4.0)

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