6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide

C33H55I2N2+ — CID 158580747

IUPAC6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide
SMILESCc1ccc2c(c1)C(CCCCCC[N+](C)(C)C)(CCCCCC[N+](C)(C)C)c1cc(C)ccc1-2.I.[I-]
InChIInChI=1S/C33H54N2.2HI/c1-27-17-19-29-30-20-18-28(2)26-32(30)33(31(29)25-27,21-13-9-11-15-23-34(3,4)5)22-14-10-12-16-24-35(6,7)8;;/h17-20,25-26H,9-16,21-24H2,1-8H3;2*1H/q+2;;/p-1
InChIKeyKGLRYOPMZWWAEL-UHFFFAOYSA-M
MW733.62 g/mol
LogP5.51
Rot. Bonds14

About 6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide

6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide (PubChem CID 158580747) has the molecular formula C33H55I2N2+ and a molecular weight of 733.62 g/mol. Its IUPAC name is 6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide.

Molecular Properties

Compound Name6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide
PubChem CID158580747
Molecular FormulaC33H55I2N2+
Molecular Weight733.62 g/mol
Exact Mass733.24
IUPAC Name6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide
SMILESCc1ccc2c(c1)C(CCCCCC[N+](C)(C)C)(CCCCCC[N+](C)(C)C)c1cc(C)ccc1-2.I.[I-]
InChIInChI=1S/C33H54N2.2HI/c1-27-17-19-29-30-20-18-28(2)26-32(30)33(31(29)25-27,21-13-9-11-15-23-34(3,4)5)22-14-10-12-16-24-35(6,7)8;;/h17-20,25-26H,9-16,21-24H2,1-8H3;2*1H/q+2;;/p-1
InChIKeyKGLRYOPMZWWAEL-UHFFFAOYSA-M
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.62
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide 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

6-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,7-dimethylfluoren-9-yl]hexyl-trimethylazanium
CID 153278370
5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine
CID 118000276
trimethyl-[10-[2-methyl-7-[2,3,5,6-tetrafluoro-4-[2-(2,3,5,6-tetrafluoro-4-methylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-9-[10-(trimethylazaniumyl)decyl]fluoren-9-yl]decyl]azanium
CID 170657708
6-[2-[3-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(3-methylphenyl)hexyl]phenyl]-7-methyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium dihydroxide
CID 159563607
5-[2-[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methylfluoren-2-yl]-9-(6,6-dimethylheptyl)-7-methylfluoren-9-yl]pentyl-trimethylazanium;5-[2-[9,9-bis[2-(2-methoxyethoxy)ethyl]-7-methylfluoren-2-yl]-9-(6,6-dimethylheptyl)-7-methylfluoren-9-yl]pentyl-trimethylazanium;dibromide
CID 158104213
5-[9-(6,6-dimethylheptyl)-2-methyl-7-(7-methyl-2,1,3-benzothiadiazol-4-yl)fluoren-9-yl]pentyl-trimethylazanium
CID 159061364
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
2,7-dimethyl-9,9-bis[8-(1-methylcyclobutyl)octyl]fluorene
CID 58151394
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
CID 173488082
CID 173488082
2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene
CID 148971086
3-[2-(9,9-dioctylfluoren-2-yl)-9-[3-(trimethylazaniumyl)propyl]fluoren-9-yl]propyl-trimethylazanium
CID 102467018

Frequently Asked Questions

What is the IUPAC name of 6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide?
The IUPAC name of 6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide (CID 158580747) is 6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide.
What is the SMILES notation for 6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide?
The canonical SMILES for 6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide is Cc1ccc2c(c1)C(CCCCCC[N+](C)(C)C)(CCCCCC[N+](C)(C)C)c1cc(C)ccc1-2.I.[I-].
What is the InChIKey of 6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide?
The InChIKey is KGLRYOPMZWWAEL-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H54N2.2HI/c1-27-17-19-29-30-20-18-28(2)26-32(30)33(31(29)25-27,21-13-9-11-15-23-34(3,4)5)22-14-10-12-16-24-35(6,7)8;;/h17-20,25-26H,9-16,21-24H2,1-8H3;2*1H/q+2;;/p-1.
What are the key properties of 6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide?
6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide has a molecular weight of 733.62 g/mol, XLogP of 5.51, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide is sourced from PubChem (CID 158580747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).