tetrakis(fluoro(dioxido)borane);octakis(1,2,3,3-tetramethylindol-1-ium)

C96H128B4F4N8O8 — CID 173139340

IUPACtetrakis(fluoro(dioxido)borane);octakis(1,2,3,3-tetramethylindol-1-ium)
SMILESCC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
InChIInChI=1S/8C12H16N.4BFO2/c8*1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;4*2-1(3)4/h8*5-8H,1-4H3;;;;/q8*+1;4*-2
InChIKeyDRCZUXKDEWGDEJ-UHFFFAOYSA-N
MW1641.37 g/mol
LogP12.35
Rot. Bonds

About tetrakis(fluoro(dioxido)borane);octakis(1,2,3,3-tetramethylindol-1-ium)

tetrakis(fluoro(dioxido)borane);octakis(1,2,3,3-tetramethylindol-1-ium) (PubChem CID 173139340) has the molecular formula C96H128B4F4N8O8 and a molecular weight of 1641.37 g/mol. Its IUPAC name is tetrakis(fluoro(dioxido)borane);octakis(1,2,3,3-tetramethylindol-1-ium).

Molecular Properties

Compound Nametetrakis(fluoro(dioxido)borane);octakis(1,2,3,3-tetramethylindol-1-ium)
PubChem CID173139340
Molecular FormulaC96H128B4F4N8O8
Molecular Weight1641.37 g/mol
Exact Mass1641.02
IUPAC Nametetrakis(fluoro(dioxido)borane);octakis(1,2,3,3-tetramethylindol-1-ium)
SMILESCC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
InChIInChI=1S/8C12H16N.4BFO2/c8*1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;4*2-1(3)4/h8*5-8H,1-4H3;;;;/q8*+1;4*-2
InChIKeyDRCZUXKDEWGDEJ-UHFFFAOYSA-N
XLogP12.35
TPSA208.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001641.37
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(fluoro(dioxido)borane);octakis(1,2,3,3-tetramethylindol-1-ium)?
The IUPAC name of tetrakis(fluoro(dioxido)borane);octakis(1,2,3,3-tetramethylindol-1-ium) (CID 173139340) is tetrakis(fluoro(dioxido)borane);octakis(1,2,3,3-tetramethylindol-1-ium).
What is the SMILES notation for tetrakis(fluoro(dioxido)borane);octakis(1,2,3,3-tetramethylindol-1-ium)?
The canonical SMILES for tetrakis(fluoro(dioxido)borane);octakis(1,2,3,3-tetramethylindol-1-ium) is CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.CC1=[N+](C)c2ccccc2C1(C)C.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.
What is the InChIKey of tetrakis(fluoro(dioxido)borane);octakis(1,2,3,3-tetramethylindol-1-ium)?
The InChIKey is DRCZUXKDEWGDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/8C12H16N.4BFO2/c8*1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;4*2-1(3)4/h8*5-8H,1-4H3;;;;/q8*+1;4*-2.
What are the key properties of tetrakis(fluoro(dioxido)borane);octakis(1,2,3,3-tetramethylindol-1-ium)?
tetrakis(fluoro(dioxido)borane);octakis(1,2,3,3-tetramethylindol-1-ium) has a molecular weight of 1641.37 g/mol, XLogP of 12.35, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(fluoro(dioxido)borane);octakis(1,2,3,3-tetramethylindol-1-ium) is sourced from PubChem (CID 173139340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).