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

C114H164Br2N2O10 — CID 158104213

IUPAC5-[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
SMILESCOCCOCCC1(CCOCCOC)c2cc(C)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC(C)(C)C)(CCCCC[N+](C)(C)C)c3cc(C)ccc3-4)cc21.COCCOCCOCCC1(CCOCCOCCOC)c2cc(C)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC(C)(C)C)(CCCCC[N+](C)(C)C)c3cc(C)ccc3-4)cc21.[Br-].[Br-]
InChIInChI=1S/C59H86NO6.C55H78NO4.2BrH/c1-45-17-21-49-51-23-19-47(43-55(51)58(53(49)41-45,26-14-11-13-25-57(3,4)5)27-15-12-16-30-60(6,7)8)48-20-24-52-50-22-18-46(2)42-54(50)59(56(52)44-48,28-31-63-37-39-65-35-33-61-9)29-32-64-38-40-66-36-34-62-10;1-41-17-21-45-47-23-19-43(39-51(47)54(49(45)37-41,26-14-11-13-25-53(3,4)5)27-15-12-16-30-56(6,7)8)44-20-24-48-46-22-18-42(2)38-50(46)55(52(48)40-44,28-31-59-35-33-57-9)29-32-60-36-34-58-10;;/h17-24,41-44H,11-16,25-40H2,1-10H3;17-24,37-40H,11-16,25-36H2,1-10H3;2*1H/q2*+1;;/p-2
InChIKeyPBBZCLPNWROQIY-UHFFFAOYSA-L
MW1882.38 g/mol
LogP19.79
Rot. Bonds54

About 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

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 (PubChem CID 158104213) has the molecular formula C114H164Br2N2O10 and a molecular weight of 1882.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID158104213
Molecular FormulaC114H164Br2N2O10
Molecular Weight1882.38 g/mol
Exact Mass1879.08
IUPAC Name5-[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
SMILESCOCCOCCC1(CCOCCOC)c2cc(C)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC(C)(C)C)(CCCCC[N+](C)(C)C)c3cc(C)ccc3-4)cc21.COCCOCCOCCC1(CCOCCOCCOC)c2cc(C)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC(C)(C)C)(CCCCC[N+](C)(C)C)c3cc(C)ccc3-4)cc21.[Br-].[Br-]
InChIInChI=1S/C59H86NO6.C55H78NO4.2BrH/c1-45-17-21-49-51-23-19-47(43-55(51)58(53(49)41-45,26-14-11-13-25-57(3,4)5)27-15-12-16-30-60(6,7)8)48-20-24-52-50-22-18-46(2)42-54(50)59(56(52)44-48,28-31-63-37-39-65-35-33-61-9)29-32-64-38-40-66-36-34-62-10;1-41-17-21-45-47-23-19-43(39-51(47)54(49(45)37-41,26-14-11-13-25-53(3,4)5)27-15-12-16-30-56(6,7)8)44-20-24-48-46-22-18-42(2)38-50(46)55(52(48)40-44,28-31-59-35-33-57-9)29-32-60-36-34-58-10;;/h17-24,41-44H,11-16,25-40H2,1-10H3;17-24,37-40H,11-16,25-36H2,1-10H3;2*1H/q2*+1;;/p-2
InChIKeyPBBZCLPNWROQIY-UHFFFAOYSA-L
XLogP19.79
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds54
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001882.38
LogP ≤ 519.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

6-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,7-dimethylfluoren-9-yl]hexyl-trimethylazanium
CID 153278370
5-[9-(6,6-dimethylheptyl)-2-methyl-7-(7-methyl-2,1,3-benzothiadiazol-4-yl)fluoren-9-yl]pentyl-trimethylazanium
CID 159061364
6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide
CID 158580747
N'-[6-[8-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-5-[9,9-bis[2-(2-methoxyethoxy)ethyl]-7-methylfluoren-2-yl]-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 118423250
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
9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-9-(2-propoxyethyl)fluorene
CID 142549933
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
[7-[7-[7-(hydroxymethyl)-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]methanol
CID 89030603
9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine
CID 134222945
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
trimethyl-[4-[9-[4-(trimethylazaniumyl)butyl]-2,7-bis[4-(1,2,2-triphenylethenyl)phenyl]fluoren-9-yl]butyl]azanium dibromide
CID 175976628
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCOCCC1(CCOCCOC)c2cc(C)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC(C)(C)C)(CCCCC[N+](C)(C)C)c3cc(C)ccc3-4)cc21.COCCOCCOCCC1(CCOCCOCCOC)c2cc(C)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC(C)(C)C)(CCCCC[N+](C)(C)C)c3cc(C)ccc3-4)cc21.[Br-].[Br-].
What is the InChIKey of 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?
The InChIKey is PBBZCLPNWROQIY-UHFFFAOYSA-L. The full InChI is InChI=1S/C59H86NO6.C55H78NO4.2BrH/c1-45-17-21-49-51-23-19-47(43-55(51)58(53(49)41-45,26-14-11-13-25-57(3,4)5)27-15-12-16-30-60(6,7)8)48-20-24-52-50-22-18-46(2)42-54(50)59(56(52)44-48,28-31-63-37-39-65-35-33-61-9)29-32-64-38-40-66-36-34-62-10;1-41-17-21-45-47-23-19-43(39-51(47)54(49(45)37-41,26-14-11-13-25-53(3,4)5)27-15-12-16-30-56(6,7)8)44-20-24-48-46-22-18-42(2)38-50(46)55(52(48)40-44,28-31-59-35-33-57-9)29-32-60-36-34-58-10;;/h17-24,41-44H,11-16,25-40H2,1-10H3;17-24,37-40H,11-16,25-36H2,1-10H3;2*1H/q2*+1;;/p-2.
What are the key properties of 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?
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 has a molecular weight of 1882.38 g/mol, XLogP of 19.79, 54 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158104213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).