borane;methyl(diphenyl)phosphane

C13H16BP — CID 13485169

IUPACborane;methyl(diphenyl)phosphane
SMILESB.CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13P.BH3/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;/h2-11H,1H3;1H3
InChIKeyLTASEMHGSLSZHM-UHFFFAOYSA-N
MW214.06 g/mol
LogP1.57
Rot. Bonds2

About borane;methyl(diphenyl)phosphane

borane;methyl(diphenyl)phosphane (PubChem CID 13485169) has the molecular formula C13H16BP and a molecular weight of 214.06 g/mol. Its IUPAC name is borane;methyl(diphenyl)phosphane.

Molecular Properties

Compound Nameborane;methyl(diphenyl)phosphane
PubChem CID13485169
Molecular FormulaC13H16BP
Molecular Weight214.06 g/mol
Exact Mass214.11
IUPAC Nameborane;methyl(diphenyl)phosphane
SMILESB.CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13P.BH3/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;/h2-11H,1H3;1H3
InChIKeyLTASEMHGSLSZHM-UHFFFAOYSA-N
XLogP1.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 51.57
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

methyl(diphenyl)phosphane;palladium(2+);dichloride
CID 175235701
carbanide;gold(1+);methyl(diphenyl)phosphane
CID 87994939
dichlororuthenium;bis(methyl(diphenyl)phosphane)
CID 175433637
CID 164679845
CID 164679845
gold(1+);methyl(diphenyl)phosphane;trifluoromethane
CID 134981383
ethyl(diphenyl)phosphane;methyl(diphenyl)phosphane
CID 158097838
methyl(diphenyl)phosphane;terephthalic acid
CID 175491126
CID 11278244
CID 11278244
CID 19922556
CID 19922556
2-[methyl(phenyl)phosphanyl]phenol
CID 11820610
[methyl(phenyl)phosphanyl]boranuide
CID 102383944
ethane;triphenylphosphane
CID 90942156

Frequently Asked Questions

What is the IUPAC name of borane;methyl(diphenyl)phosphane?
The IUPAC name of borane;methyl(diphenyl)phosphane (CID 13485169) is borane;methyl(diphenyl)phosphane.
What is the SMILES notation for borane;methyl(diphenyl)phosphane?
The canonical SMILES for borane;methyl(diphenyl)phosphane is B.CP(c1ccccc1)c1ccccc1.
What is the InChIKey of borane;methyl(diphenyl)phosphane?
The InChIKey is LTASEMHGSLSZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13P.BH3/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;/h2-11H,1H3;1H3.
What are the key properties of borane;methyl(diphenyl)phosphane?
borane;methyl(diphenyl)phosphane has a molecular weight of 214.06 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for borane;methyl(diphenyl)phosphane is sourced from PubChem (CID 13485169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).