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

C78H84F8N2+2 — CID 170657708

IUPACtrimethyl-[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
SMILESCc1ccc2c(c1)C(CCCCCCCCCC[N+](C)(C)C)(CCCCCCCCCC[N+](C)(C)C)c1cc(-c3c(F)c(F)c(-c4ccc5c(c4)C4(c6ccccc6-c6ccc(-c7c(F)c(F)c(C)c(F)c7F)cc64)c4ccccc4-5)c(F)c3F)ccc1-2
InChIInChI=1S/C78H84F8N2/c1-49-33-37-56-57-38-34-51(46-63(57)77(62(56)45-49,41-25-17-13-9-11-15-19-27-43-87(3,4)5)42-26-18-14-10-12-16-20-28-44-88(6,7)8)67-73(83)75(85)68(76(86)74(67)84)53-36-40-59-55-30-22-24-32-61(55)78(65(59)48-53)60-31-23-21-29-54(60)58-39-35-52(47-64(58)78)66-71(81)69(79)50(2)70(80)72(66)82/h21-24,29-40,45-48H,9-20,25-28,41-44H2,1-8H3/q+2
InChIKeyMRFKMJQHWWQPNN-UHFFFAOYSA-N
MW1201.53 g/mol
LogP21.46
Rot. Bonds25

About 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

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 (PubChem CID 170657708) has the molecular formula C78H84F8N2+2 and a molecular weight of 1201.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametrimethyl-[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
PubChem CID170657708
Molecular FormulaC78H84F8N2+2
Molecular Weight1201.53 g/mol
Exact Mass1200.65
IUPAC Nametrimethyl-[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
SMILESCc1ccc2c(c1)C(CCCCCCCCCC[N+](C)(C)C)(CCCCCCCCCC[N+](C)(C)C)c1cc(-c3c(F)c(F)c(-c4ccc5c(c4)C4(c6ccccc6-c6ccc(-c7c(F)c(F)c(C)c(F)c7F)cc64)c4ccccc4-5)c(F)c3F)ccc1-2
InChIInChI=1S/C78H84F8N2/c1-49-33-37-56-57-38-34-51(46-63(57)77(62(56)45-49,41-25-17-13-9-11-15-19-27-43-87(3,4)5)42-26-18-14-10-12-16-20-28-44-88(6,7)8)67-73(83)75(85)68(76(86)74(67)84)53-36-40-59-55-30-22-24-32-61(55)78(65(59)48-53)60-31-23-21-29-54(60)58-39-35-52(47-64(58)78)66-71(81)69(79)50(2)70(80)72(66)82/h21-24,29-40,45-48H,9-20,25-28,41-44H2,1-8H3/q+2
InChIKeyMRFKMJQHWWQPNN-UHFFFAOYSA-N
XLogP21.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001201.53
LogP ≤ 521.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

8-[2-methyl-9-(8-sulfooctyl)-7-[2,3,5,6-tetrafluoro-4-[2-(2,3,5,6-tetrafluoro-4-methylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]fluoren-9-yl]octane-1-sulfonic acid
CID 170657709
2,2-dimethylpropyl 8-[9-[8-(2,2-dimethylpropoxysulfonyl)octyl]-2-methyl-7-[2,3,5,6-tetrafluoro-4-[2-(2,3,5,6-tetrafluoro-4-methylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]fluoren-9-yl]octane-1-sulfonate
CID 170657716
6-[2,7-dimethyl-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium;iodide;hydroiodide
CID 158580747
3-[2-(9,9-dioctylfluoren-2-yl)-9-[3-(trimethylazaniumyl)propyl]fluoren-9-yl]propyl-trimethylazanium
CID 102467018
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
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
6-[2-[2,5-bis[6-(trimethylazaniumyl)hexoxy]phenyl]-9-[6-(trimethylazaniumyl)hexyl]fluoren-9-yl]hexyl-trimethylazanium
CID 102469998
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
6-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,7-dimethylfluoren-9-yl]hexyl-trimethylazanium
CID 153278370
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)C(CCCCCCCCCC[N+](C)(C)C)(CCCCCCCCCC[N+](C)(C)C)c1cc(-c3c(F)c(F)c(-c4ccc5c(c4)C4(c6ccccc6-c6ccc(-c7c(F)c(F)c(C)c(F)c7F)cc64)c4ccccc4-5)c(F)c3F)ccc1-2.
What is the InChIKey of 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?
The InChIKey is MRFKMJQHWWQPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H84F8N2/c1-49-33-37-56-57-38-34-51(46-63(57)77(62(56)45-49,41-25-17-13-9-11-15-19-27-43-87(3,4)5)42-26-18-14-10-12-16-20-28-44-88(6,7)8)67-73(83)75(85)68(76(86)74(67)84)53-36-40-59-55-30-22-24-32-61(55)78(65(59)48-53)60-31-23-21-29-54(60)58-39-35-52(47-64(58)78)66-71(81)69(79)50(2)70(80)72(66)82/h21-24,29-40,45-48H,9-20,25-28,41-44H2,1-8H3/q+2.
What are the key properties of 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?
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 has a molecular weight of 1201.53 g/mol, XLogP of 21.46, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170657708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).