bromo(9,9,9-triphenylnonyl)phosphane

C27H32BrP — CID 139644220

IUPACbromo(9,9,9-triphenylnonyl)phosphane
SMILESBrPCCCCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32BrP/c28-29-23-15-4-2-1-3-14-22-27(24-16-8-5-9-17-24,25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-13,16-21,29H,1-4,14-15,22-23H2
InChIKeyRDYOIHYXUPIFEJ-UHFFFAOYSA-N
MW467.43 g/mol
LogP8.74
Rot. Bonds12

About bromo(9,9,9-triphenylnonyl)phosphane

bromo(9,9,9-triphenylnonyl)phosphane (PubChem CID 139644220) has the molecular formula C27H32BrP and a molecular weight of 467.43 g/mol. Its IUPAC name is bromo(9,9,9-triphenylnonyl)phosphane.

Molecular Properties

Compound Namebromo(9,9,9-triphenylnonyl)phosphane
PubChem CID139644220
Molecular FormulaC27H32BrP
Molecular Weight467.43 g/mol
Exact Mass466.14
IUPAC Namebromo(9,9,9-triphenylnonyl)phosphane
SMILESBrPCCCCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32BrP/c28-29-23-15-4-2-1-3-14-22-27(24-16-8-5-9-17-24,25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-13,16-21,29H,1-4,14-15,22-23H2
InChIKeyRDYOIHYXUPIFEJ-UHFFFAOYSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.43
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromo(9,9,9-triphenylnonyl)phosphane?
The IUPAC name of bromo(9,9,9-triphenylnonyl)phosphane (CID 139644220) is bromo(9,9,9-triphenylnonyl)phosphane.
What is the SMILES notation for bromo(9,9,9-triphenylnonyl)phosphane?
The canonical SMILES for bromo(9,9,9-triphenylnonyl)phosphane is BrPCCCCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo(9,9,9-triphenylnonyl)phosphane?
The InChIKey is RDYOIHYXUPIFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32BrP/c28-29-23-15-4-2-1-3-14-22-27(24-16-8-5-9-17-24,25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-13,16-21,29H,1-4,14-15,22-23H2.
What are the key properties of bromo(9,9,9-triphenylnonyl)phosphane?
bromo(9,9,9-triphenylnonyl)phosphane has a molecular weight of 467.43 g/mol, XLogP of 8.74, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(9,9,9-triphenylnonyl)phosphane is sourced from PubChem (CID 139644220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).