magnesium bis(butyl(trinaphthalen-2-yl)boranuide)

C68H60B2Mg — CID 19598559

IUPACmagnesium bis(butyl(trinaphthalen-2-yl)boranuide)
SMILESCCCC[B-](c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.CCCC[B-](c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.[Mg+2]
InChIInChI=1S/2C34H30B.Mg/c2*1-2-3-22-35(32-19-16-26-10-4-7-13-29(26)23-32,33-20-17-27-11-5-8-14-30(27)24-33)34-21-18-28-12-6-9-15-31(28)25-34;/h2*4-21,23-25H,2-3,22H2,1H3;/q2*-1;+2
InChIKeyAQRSNSREGVCDDZ-UHFFFAOYSA-N
MW923.16 g/mol
LogP14.45
Rot. Bonds12

About magnesium bis(butyl(trinaphthalen-2-yl)boranuide)

magnesium bis(butyl(trinaphthalen-2-yl)boranuide) (PubChem CID 19598559) has the molecular formula C68H60B2Mg and a molecular weight of 923.16 g/mol. Its IUPAC name is magnesium bis(butyl(trinaphthalen-2-yl)boranuide).

Molecular Properties

Compound Namemagnesium bis(butyl(trinaphthalen-2-yl)boranuide)
PubChem CID19598559
Molecular FormulaC68H60B2Mg
Molecular Weight923.16 g/mol
Exact Mass922.47
IUPAC Namemagnesium bis(butyl(trinaphthalen-2-yl)boranuide)
SMILESCCCC[B-](c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.CCCC[B-](c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.[Mg+2]
InChIInChI=1S/2C34H30B.Mg/c2*1-2-3-22-35(32-19-16-26-10-4-7-13-29(26)23-32,33-20-17-27-11-5-8-14-30(27)24-33)34-21-18-28-12-6-9-15-31(28)25-34;/h2*4-21,23-25H,2-3,22H2,1H3;/q2*-1;+2
InChIKeyAQRSNSREGVCDDZ-UHFFFAOYSA-N
XLogP14.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.16
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

lithium butyl(triphenyl)boranuide
CID 23668465
lithium butyl-tris(4-methoxyphenyl)boranuide
CID 139652579
butyl-tris(3-methylphenyl)boranuide
CID 139835830
2-(2-butylphenyl)naphthalene
CID 58626566
sodium tetranaphthalen-2-ylboranuide
CID 23698665
(3-chloro-4-methylphenyl)-hexyl-diphenylboranuide
CID 176748771
(3-fluorophenyl)-hexyl-diphenylboranuide
CID 176748764
methoxymethane;naphthalene;pentane
CID 91431163
benzyl(dimethyl)sulfanium;butyl(triphenyl)boranuide
CID 18982460
butyl(trinaphthalen-1-yl)boranuide;tetraethylazanium
CID 142702935
ethane;2-hexylnaphthalene
CID 142191207
tetrabutylazanium;tris(4-methoxyphenyl)-pentylboranuide
CID 23284024

Frequently Asked Questions

What is the IUPAC name of magnesium bis(butyl(trinaphthalen-2-yl)boranuide)?
The IUPAC name of magnesium bis(butyl(trinaphthalen-2-yl)boranuide) (CID 19598559) is magnesium bis(butyl(trinaphthalen-2-yl)boranuide).
What is the SMILES notation for magnesium bis(butyl(trinaphthalen-2-yl)boranuide)?
The canonical SMILES for magnesium bis(butyl(trinaphthalen-2-yl)boranuide) is CCCC[B-](c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.CCCC[B-](c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.[Mg+2].
What is the InChIKey of magnesium bis(butyl(trinaphthalen-2-yl)boranuide)?
The InChIKey is AQRSNSREGVCDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H30B.Mg/c2*1-2-3-22-35(32-19-16-26-10-4-7-13-29(26)23-32,33-20-17-27-11-5-8-14-30(27)24-33)34-21-18-28-12-6-9-15-31(28)25-34;/h2*4-21,23-25H,2-3,22H2,1H3;/q2*-1;+2.
What are the key properties of magnesium bis(butyl(trinaphthalen-2-yl)boranuide)?
magnesium bis(butyl(trinaphthalen-2-yl)boranuide) has a molecular weight of 923.16 g/mol, XLogP of 14.45, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(butyl(trinaphthalen-2-yl)boranuide) is sourced from PubChem (CID 19598559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).