tetraphenylboranuide;tritert-butylphosphane

C36H47BP- — CID 86674235

IUPACtetraphenylboranuide;tritert-butylphosphane
SMILESCC(C)(C)P(C(C)(C)C)C(C)(C)C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C12H27P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-10(2,3)13(11(4,5)6)12(7,8)9/h1-20H;1-9H3/q-1;
InChIKeyQWISVPBFGJWCBS-UHFFFAOYSA-N
MW521.56 g/mol
LogP7.93
Rot. Bonds4

About tetraphenylboranuide;tritert-butylphosphane

tetraphenylboranuide;tritert-butylphosphane (PubChem CID 86674235) has the molecular formula C36H47BP- and a molecular weight of 521.56 g/mol. Its IUPAC name is tetraphenylboranuide;tritert-butylphosphane.

Molecular Properties

Compound Nametetraphenylboranuide;tritert-butylphosphane
PubChem CID86674235
Molecular FormulaC36H47BP-
Molecular Weight521.56 g/mol
Exact Mass521.35
IUPAC Nametetraphenylboranuide;tritert-butylphosphane
SMILESCC(C)(C)P(C(C)(C)C)C(C)(C)C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C12H27P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-10(2,3)13(11(4,5)6)12(7,8)9/h1-20H;1-9H3/q-1;
InChIKeyQWISVPBFGJWCBS-UHFFFAOYSA-N
XLogP7.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.56
LogP ≤ 57.93
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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Frequently Asked Questions

What is the IUPAC name of tetraphenylboranuide;tritert-butylphosphane?
The IUPAC name of tetraphenylboranuide;tritert-butylphosphane (CID 86674235) is tetraphenylboranuide;tritert-butylphosphane.
What is the SMILES notation for tetraphenylboranuide;tritert-butylphosphane?
The canonical SMILES for tetraphenylboranuide;tritert-butylphosphane is CC(C)(C)P(C(C)(C)C)C(C)(C)C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tetraphenylboranuide;tritert-butylphosphane?
The InChIKey is QWISVPBFGJWCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B.C12H27P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-10(2,3)13(11(4,5)6)12(7,8)9/h1-20H;1-9H3/q-1;.
What are the key properties of tetraphenylboranuide;tritert-butylphosphane?
tetraphenylboranuide;tritert-butylphosphane has a molecular weight of 521.56 g/mol, XLogP of 7.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetraphenylboranuide;tritert-butylphosphane is sourced from PubChem (CID 86674235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).