tetrakis(fluoro(dioxido)borane);octakis(4-methoxynaphthalene-1-diazonium)

C88H72B4F4N16O16 — CID 173427492

IUPACtetrakis(fluoro(dioxido)borane);octakis(4-methoxynaphthalene-1-diazonium)
SMILESCOc1ccc([N+]#N)c2ccccc12.COc1ccc([N+]#N)c2ccccc12.COc1ccc([N+]#N)c2ccccc12.COc1ccc([N+]#N)c2ccccc12.COc1ccc([N+]#N)c2ccccc12.COc1ccc([N+]#N)c2ccccc12.COc1ccc([N+]#N)c2ccccc12.COc1ccc([N+]#N)c2ccccc12.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
InChIInChI=1S/8C11H9N2O.4BFO2/c8*1-14-11-7-6-10(13-12)8-4-2-3-5-9(8)11;4*2-1(3)4/h8*2-7H,1H3;;;;/q8*+1;4*-2
InChIKeySZXYADFVOARCJL-UHFFFAOYSA-N
MW1728.88 g/mol
LogP17.31
Rot. Bonds8

About tetrakis(fluoro(dioxido)borane);octakis(4-methoxynaphthalene-1-diazonium)

tetrakis(fluoro(dioxido)borane);octakis(4-methoxynaphthalene-1-diazonium) (PubChem CID 173427492) has the molecular formula C88H72B4F4N16O16 and a molecular weight of 1728.88 g/mol. Its IUPAC name is tetrakis(fluoro(dioxido)borane);octakis(4-methoxynaphthalene-1-diazonium).

Molecular Properties

Compound Nametetrakis(fluoro(dioxido)borane);octakis(4-methoxynaphthalene-1-diazonium)
PubChem CID173427492
Molecular FormulaC88H72B4F4N16O16
Molecular Weight1728.88 g/mol
Exact Mass1728.56
IUPAC Nametetrakis(fluoro(dioxido)borane);octakis(4-methoxynaphthalene-1-diazonium)
SMILESCOc1ccc([N+]#N)c2ccccc12.COc1ccc([N+]#N)c2ccccc12.COc1ccc([N+]#N)c2ccccc12.COc1ccc([N+]#N)c2ccccc12.COc1ccc([N+]#N)c2ccccc12.COc1ccc([N+]#N)c2ccccc12.COc1ccc([N+]#N)c2ccccc12.COc1ccc([N+]#N)c2ccccc12.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
InChIInChI=1S/8C11H9N2O.4BFO2/c8*1-14-11-7-6-10(13-12)8-4-2-3-5-9(8)11;4*2-1(3)4/h8*2-7H,1H3;;;;/q8*+1;4*-2
InChIKeySZXYADFVOARCJL-UHFFFAOYSA-N
XLogP17.31
TPSA483.52 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds8
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001728.88
LogP ≤ 517.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxybenzenediazonium tetratetrafluoroborate
CID 173431119
2-methoxybenzenediazonium chloride
CID 10920957
bis(2-bromobenzenediazonium);fluoro(dioxido)borane
CID 87874286
1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene
CID 146547657
1-chloro-4-methoxynaphthalene
CID 606038
1-[(E)-but-2-enoxy]-4-methoxynaphthalene
CID 134894339
(4-methoxynaphthalen-1-yl) 2-methylpropanoate
CID 142734241
1-bromo-4-methoxynaphthalene;ethane
CID 143974048
1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene
CID 14147524
(3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanenitrile
CID 171260239
(1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine
CID 29081387
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790

Frequently Asked Questions

What is the IUPAC name of tetrakis(fluoro(dioxido)borane);octakis(4-methoxynaphthalene-1-diazonium)?
The IUPAC name of tetrakis(fluoro(dioxido)borane);octakis(4-methoxynaphthalene-1-diazonium) (CID 173427492) is tetrakis(fluoro(dioxido)borane);octakis(4-methoxynaphthalene-1-diazonium).
What is the SMILES notation for tetrakis(fluoro(dioxido)borane);octakis(4-methoxynaphthalene-1-diazonium)?
The canonical SMILES for tetrakis(fluoro(dioxido)borane);octakis(4-methoxynaphthalene-1-diazonium) is COc1ccc([N+]#N)c2ccccc12.COc1ccc([N+]#N)c2ccccc12.COc1ccc([N+]#N)c2ccccc12.COc1ccc([N+]#N)c2ccccc12.COc1ccc([N+]#N)c2ccccc12.COc1ccc([N+]#N)c2ccccc12.COc1ccc([N+]#N)c2ccccc12.COc1ccc([N+]#N)c2ccccc12.[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(4-methoxynaphthalene-1-diazonium)?
The InChIKey is SZXYADFVOARCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/8C11H9N2O.4BFO2/c8*1-14-11-7-6-10(13-12)8-4-2-3-5-9(8)11;4*2-1(3)4/h8*2-7H,1H3;;;;/q8*+1;4*-2.
What are the key properties of tetrakis(fluoro(dioxido)borane);octakis(4-methoxynaphthalene-1-diazonium)?
tetrakis(fluoro(dioxido)borane);octakis(4-methoxynaphthalene-1-diazonium) has a molecular weight of 1728.88 g/mol, XLogP of 17.31, 8 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(fluoro(dioxido)borane);octakis(4-methoxynaphthalene-1-diazonium) is sourced from PubChem (CID 173427492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).