tetrakis(4-tert-butylphenyl)boranuide

C40H52B- — CID 4260042

IUPACtetrakis(4-tert-butylphenyl)boranuide
SMILESCC(C)(C)c1ccc([B-](c2ccc(C(C)(C)C)cc2)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C40H52B/c1-37(2,3)29-13-21-33(22-14-29)41(34-23-15-30(16-24-34)38(4,5)6,35-25-17-31(18-26-35)39(7,8)9)36-27-19-32(20-28-36)40(10,11)12/h13-28H,1-12H3/q-1
InChIKeyMAVMANYPYTYUNZ-UHFFFAOYSA-N
MW543.67 g/mol
LogP8.25
Rot. Bonds4

About tetrakis(4-tert-butylphenyl)boranuide

tetrakis(4-tert-butylphenyl)boranuide (PubChem CID 4260042) has the molecular formula C40H52B- and a molecular weight of 543.67 g/mol. Its IUPAC name is tetrakis(4-tert-butylphenyl)boranuide.

Molecular Properties

Compound Nametetrakis(4-tert-butylphenyl)boranuide
PubChem CID4260042
Molecular FormulaC40H52B-
Molecular Weight543.67 g/mol
Exact Mass543.42
IUPAC Nametetrakis(4-tert-butylphenyl)boranuide
SMILESCC(C)(C)c1ccc([B-](c2ccc(C(C)(C)C)cc2)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C40H52B/c1-37(2,3)29-13-21-33(22-14-29)41(34-23-15-30(16-24-34)38(4,5)6,35-25-17-31(18-26-35)39(7,8)9)36-27-19-32(20-28-36)40(10,11)12/h13-28H,1-12H3/q-1
InChIKeyMAVMANYPYTYUNZ-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.67
LogP ≤ 58.25
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

bis(4-tert-butylphenyl)-diphenylboranuide
CID 176879927
1-tert-butyl-4-iodobenzene;tetraphenylboranuide
CID 89461890
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
tetrakis[4-(trifluoromethyl)phenyl]boranuide;trimethylazanium
CID 22146542
(3,5-ditert-butylphenyl)-triphenylboranuide
CID 140663046
1-tert-butyl-4-methylbenzene
CID 163486601
tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tris(4-tert-butylphenyl)sulfanium
CID 139960063
tert-butyliodanium;tetraphenylboranuide
CID 156646741
tetraphenylboranuide;tritert-butylphosphane
CID 86674235
(4-tert-butylphenyl)alumane
CID 174308515
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930

Frequently Asked Questions

What is the IUPAC name of tetrakis(4-tert-butylphenyl)boranuide?
The IUPAC name of tetrakis(4-tert-butylphenyl)boranuide (CID 4260042) is tetrakis(4-tert-butylphenyl)boranuide.
What is the SMILES notation for tetrakis(4-tert-butylphenyl)boranuide?
The canonical SMILES for tetrakis(4-tert-butylphenyl)boranuide is CC(C)(C)c1ccc([B-](c2ccc(C(C)(C)C)cc2)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of tetrakis(4-tert-butylphenyl)boranuide?
The InChIKey is MAVMANYPYTYUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H52B/c1-37(2,3)29-13-21-33(22-14-29)41(34-23-15-30(16-24-34)38(4,5)6,35-25-17-31(18-26-35)39(7,8)9)36-27-19-32(20-28-36)40(10,11)12/h13-28H,1-12H3/q-1.
What are the key properties of tetrakis(4-tert-butylphenyl)boranuide?
tetrakis(4-tert-butylphenyl)boranuide has a molecular weight of 543.67 g/mol, XLogP of 8.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-tert-butylphenyl)boranuide is sourced from PubChem (CID 4260042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).