bis[2-(4-bromophenyl)ethyl]-phenylphosphane

C22H21Br2P — CID 132525002

IUPACbis[2-(4-bromophenyl)ethyl]-phenylphosphane
SMILESBrc1ccc(CCP(CCc2ccc(Br)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H21Br2P/c23-20-10-6-18(7-11-20)14-16-25(22-4-2-1-3-5-22)17-15-19-8-12-21(24)13-9-19/h1-13H,14-17H2
InChIKeyKGBLPOOOYKIATI-UHFFFAOYSA-N
MW476.19 g/mol
LogP6.80
Rot. Bonds7

About bis[2-(4-bromophenyl)ethyl]-phenylphosphane

bis[2-(4-bromophenyl)ethyl]-phenylphosphane (PubChem CID 132525002) has the molecular formula C22H21Br2P and a molecular weight of 476.19 g/mol. Its IUPAC name is bis[2-(4-bromophenyl)ethyl]-phenylphosphane.

Molecular Properties

Compound Namebis[2-(4-bromophenyl)ethyl]-phenylphosphane
PubChem CID132525002
Molecular FormulaC22H21Br2P
Molecular Weight476.19 g/mol
Exact Mass473.97
IUPAC Namebis[2-(4-bromophenyl)ethyl]-phenylphosphane
SMILESBrc1ccc(CCP(CCc2ccc(Br)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H21Br2P/c23-20-10-6-18(7-11-20)14-16-25(22-4-2-1-3-5-22)17-15-19-8-12-21(24)13-9-19/h1-13H,14-17H2
InChIKeyKGBLPOOOYKIATI-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.19
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
2-bromoethyl-[2-[2-bromoethyl(phenyl)phosphanyl]ethyl]-phenylphosphane
CID 102487174
3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol
CID 14871357
1-bromo-4-(3-bromo-3-phenylpropyl)benzene
CID 63471599
2-[4-[4-(2-diphenylphosphanylethyl)phenoxy]phenyl]ethyl-diphenylphosphane
CID 11767136
ethyl-[2-[ethyl(phenyl)phosphanyl]ethyl]-phenylphosphane
CID 22760091
bromo(113C)cyclohexatriene
CID 11094888
bromo(413C)cyclohexatriene
CID 66995401
1-bromo-4-[(2R)-2-methyl-6-phenylhexyl]benzene;hydrochloride
CID 160507683
2-[2-(dimethylamino)ethyl-phenylphosphanyl]-N,N-dimethylethanamine
CID 70119668
dipentyl(phenyl)phosphane
CID 3085487
2-[2-(4-bromophenyl)ethyl]benzoic acid
CID 11449587

Frequently Asked Questions

What is the IUPAC name of bis[2-(4-bromophenyl)ethyl]-phenylphosphane?
The IUPAC name of bis[2-(4-bromophenyl)ethyl]-phenylphosphane (CID 132525002) is bis[2-(4-bromophenyl)ethyl]-phenylphosphane.
What is the SMILES notation for bis[2-(4-bromophenyl)ethyl]-phenylphosphane?
The canonical SMILES for bis[2-(4-bromophenyl)ethyl]-phenylphosphane is Brc1ccc(CCP(CCc2ccc(Br)cc2)c2ccccc2)cc1.
What is the InChIKey of bis[2-(4-bromophenyl)ethyl]-phenylphosphane?
The InChIKey is KGBLPOOOYKIATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Br2P/c23-20-10-6-18(7-11-20)14-16-25(22-4-2-1-3-5-22)17-15-19-8-12-21(24)13-9-19/h1-13H,14-17H2.
What are the key properties of bis[2-(4-bromophenyl)ethyl]-phenylphosphane?
bis[2-(4-bromophenyl)ethyl]-phenylphosphane has a molecular weight of 476.19 g/mol, XLogP of 6.80, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(4-bromophenyl)ethyl]-phenylphosphane is sourced from PubChem (CID 132525002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).