bromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane

C27H31Br2P — CID 171472149

IUPACbromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane
SMILESBrCCCCCCC=CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31Br2P/c28-23-15-4-2-1-3-5-16-24-30(29,25-17-9-6-10-18-25,26-19-11-7-12-20-26)27-21-13-8-14-22-27/h5-14,16-22H,1-4,15,23-24H2
InChIKeyMCNUTCBNAUAIJS-UHFFFAOYSA-N
MW546.33 g/mol
LogP7.73
Rot. Bonds11

About bromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane

bromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane (PubChem CID 171472149) has the molecular formula C27H31Br2P and a molecular weight of 546.33 g/mol. Its IUPAC name is bromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane
PubChem CID171472149
Molecular FormulaC27H31Br2P
Molecular Weight546.33 g/mol
Exact Mass544.05
IUPAC Namebromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane
SMILESBrCCCCCCC=CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31Br2P/c28-23-15-4-2-1-3-5-16-24-30(29,25-17-9-6-10-18-25,26-19-11-7-12-20-26)27-21-13-8-14-22-27/h5-14,16-22H,1-4,15,23-24H2
InChIKeyMCNUTCBNAUAIJS-UHFFFAOYSA-N
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.33
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane?
The IUPAC name of bromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane (CID 171472149) is bromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane.
What is the SMILES notation for bromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane?
The canonical SMILES for bromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane is BrCCCCCCC=CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane?
The InChIKey is MCNUTCBNAUAIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31Br2P/c28-23-15-4-2-1-3-5-16-24-30(29,25-17-9-6-10-18-25,26-19-11-7-12-20-26)27-21-13-8-14-22-27/h5-14,16-22H,1-4,15,23-24H2.
What are the key properties of bromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane?
bromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane has a molecular weight of 546.33 g/mol, XLogP of 7.73, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane is sourced from PubChem (CID 171472149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).