bis(4-tert-butylphenyl)phosphanylboranuide

C20H29BP- — CID 162185913

IUPACbis(4-tert-butylphenyl)phosphanylboranuide
SMILES[BH3-]P(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H29BP/c1-19(2,3)15-7-11-17(12-8-15)22(21)18-13-9-16(10-14-18)20(4,5)6/h7-14H,1-6,21H3/q-1
InChIKeyJTHFWFXSXXHDJV-UHFFFAOYSA-N
MW311.24 g/mol
LogP3.99
Rot. Bonds2

About bis(4-tert-butylphenyl)phosphanylboranuide

bis(4-tert-butylphenyl)phosphanylboranuide (PubChem CID 162185913) has the molecular formula C20H29BP- and a molecular weight of 311.24 g/mol. Its IUPAC name is bis(4-tert-butylphenyl)phosphanylboranuide.

Molecular Properties

Compound Namebis(4-tert-butylphenyl)phosphanylboranuide
PubChem CID162185913
Molecular FormulaC20H29BP-
Molecular Weight311.24 g/mol
Exact Mass311.21
IUPAC Namebis(4-tert-butylphenyl)phosphanylboranuide
SMILES[BH3-]P(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H29BP/c1-19(2,3)15-7-11-17(12-8-15)22(21)18-13-9-16(10-14-18)20(4,5)6/h7-14H,1-6,21H3/q-1
InChIKeyJTHFWFXSXXHDJV-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4-tert-butylphenyl)-dioxidophosphane
CID 19091532
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
(4-tert-butylbenzene-6-id-1-yl)-bis(4-tert-butylphenyl)phosphane
CID 101398436
1-tert-butyl-4-methylbenzene
CID 163486601
(4-tert-butylphenyl)-dicyclopentylphosphane
CID 118057418
bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane
CID 54542176
(4-tert-butylphenyl)alumane
CID 174308515
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
[2-[bis(4-tert-butylphenyl)phosphanyl-phenylmethyl]-2-methyl-1-phenylbutyl]-bis(4-tert-butylphenyl)phosphane
CID 87659208
4-tert-butylphenol;titanium
CID 20801499
4-tert-butylphenol;cobalt
CID 174380967
tris(4-tert-butylphenyl)alumane
CID 159922072

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylphenyl)phosphanylboranuide?
The IUPAC name of bis(4-tert-butylphenyl)phosphanylboranuide (CID 162185913) is bis(4-tert-butylphenyl)phosphanylboranuide.
What is the SMILES notation for bis(4-tert-butylphenyl)phosphanylboranuide?
The canonical SMILES for bis(4-tert-butylphenyl)phosphanylboranuide is [BH3-]P(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of bis(4-tert-butylphenyl)phosphanylboranuide?
The InChIKey is JTHFWFXSXXHDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29BP/c1-19(2,3)15-7-11-17(12-8-15)22(21)18-13-9-16(10-14-18)20(4,5)6/h7-14H,1-6,21H3/q-1.
What are the key properties of bis(4-tert-butylphenyl)phosphanylboranuide?
bis(4-tert-butylphenyl)phosphanylboranuide has a molecular weight of 311.24 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butylphenyl)phosphanylboranuide is sourced from PubChem (CID 162185913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).