[di(propan-2-yl)phosphanyl-phenylboranyl]-di(propan-2-yl)phosphane

C18H33BP2 — CID 102408688

IUPAC[di(propan-2-yl)phosphanyl-phenylboranyl]-di(propan-2-yl)phosphane
SMILESCC(C)P(B(c1ccccc1)P(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C18H33BP2/c1-14(2)20(15(3)4)19(18-12-10-9-11-13-18)21(16(5)6)17(7)8/h9-17H,1-8H3
InChIKeySHJPIQLXUJFGOP-UHFFFAOYSA-N
MW322.22 g/mol
LogP5.98
Rot. Bonds7

About [di(propan-2-yl)phosphanyl-phenylboranyl]-di(propan-2-yl)phosphane

[di(propan-2-yl)phosphanyl-phenylboranyl]-di(propan-2-yl)phosphane (PubChem CID 102408688) has the molecular formula C18H33BP2 and a molecular weight of 322.22 g/mol. Its IUPAC name is [di(propan-2-yl)phosphanyl-phenylboranyl]-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name[di(propan-2-yl)phosphanyl-phenylboranyl]-di(propan-2-yl)phosphane
PubChem CID102408688
Molecular FormulaC18H33BP2
Molecular Weight322.22 g/mol
Exact Mass322.22
IUPAC Name[di(propan-2-yl)phosphanyl-phenylboranyl]-di(propan-2-yl)phosphane
SMILESCC(C)P(B(c1ccccc1)P(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C18H33BP2/c1-14(2)20(15(3)4)19(18-12-10-9-11-13-18)21(16(5)6)17(7)8/h9-17H,1-8H3
InChIKeySHJPIQLXUJFGOP-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.22
LogP ≤ 55.98
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'}

Analyze [di(propan-2-yl)phosphanyl-phenylboranyl]-di(propan-2-yl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl(propan-2-yl)borinic acid
CID 89097943
benzene;ethane;bis(2-methylpropane);naphthalene
CID 159562136
benzyl-methyl-dipropylphosphanium
CID 23546516
(amino-phenyl-propan-2-ylsilyl)benzene
CID 54544668
chloro-phenyl-propan-2-ylphosphane
CID 10867074
bis(hydroxymethyl)-methyl-phenylphosphanium
CID 3061532
methyl-diphenyl-propan-2-ylphosphanium
CID 23412999
manganese(2+);methyl(triphenyl)phosphanium;dibromide
CID 175373163
fluoromethyl(diphenyl)borane
CID 67927047
ethane;phenylboronic acid
CID 54560949
bromo-methyl-phenylborane
CID 67944341
methoxy-methyl-diphenylphosphanium
CID 23415298

Frequently Asked Questions

What is the IUPAC name of [di(propan-2-yl)phosphanyl-phenylboranyl]-di(propan-2-yl)phosphane?
The IUPAC name of [di(propan-2-yl)phosphanyl-phenylboranyl]-di(propan-2-yl)phosphane (CID 102408688) is [di(propan-2-yl)phosphanyl-phenylboranyl]-di(propan-2-yl)phosphane.
What is the SMILES notation for [di(propan-2-yl)phosphanyl-phenylboranyl]-di(propan-2-yl)phosphane?
The canonical SMILES for [di(propan-2-yl)phosphanyl-phenylboranyl]-di(propan-2-yl)phosphane is CC(C)P(B(c1ccccc1)P(C(C)C)C(C)C)C(C)C.
What is the InChIKey of [di(propan-2-yl)phosphanyl-phenylboranyl]-di(propan-2-yl)phosphane?
The InChIKey is SHJPIQLXUJFGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33BP2/c1-14(2)20(15(3)4)19(18-12-10-9-11-13-18)21(16(5)6)17(7)8/h9-17H,1-8H3.
What are the key properties of [di(propan-2-yl)phosphanyl-phenylboranyl]-di(propan-2-yl)phosphane?
[di(propan-2-yl)phosphanyl-phenylboranyl]-di(propan-2-yl)phosphane has a molecular weight of 322.22 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [di(propan-2-yl)phosphanyl-phenylboranyl]-di(propan-2-yl)phosphane is sourced from PubChem (CID 102408688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).