tris[4-(bromomethyl)phenyl]phosphane

C21H18Br3P — CID 58675353

IUPACtris[4-(bromomethyl)phenyl]phosphane
SMILESBrCc1ccc(P(c2ccc(CBr)cc2)c2ccc(CBr)cc2)cc1
InChIInChI=1S/C21H18Br3P/c22-13-16-1-7-19(8-2-16)25(20-9-3-17(14-23)4-10-20)21-11-5-18(15-24)6-12-21/h1-12H,13-15H2
InChIKeySHBWBJOUUHHICU-UHFFFAOYSA-N
MW541.06 g/mol
LogP6.13
Rot. Bonds6

About tris[4-(bromomethyl)phenyl]phosphane

tris[4-(bromomethyl)phenyl]phosphane (PubChem CID 58675353) has the molecular formula C21H18Br3P and a molecular weight of 541.06 g/mol. Its IUPAC name is tris[4-(bromomethyl)phenyl]phosphane.

Molecular Properties

Compound Nametris[4-(bromomethyl)phenyl]phosphane
PubChem CID58675353
Molecular FormulaC21H18Br3P
Molecular Weight541.06 g/mol
Exact Mass537.87
IUPAC Nametris[4-(bromomethyl)phenyl]phosphane
SMILESBrCc1ccc(P(c2ccc(CBr)cc2)c2ccc(CBr)cc2)cc1
InChIInChI=1S/C21H18Br3P/c22-13-16-1-7-19(8-2-16)25(20-9-3-17(14-23)4-10-20)21-11-5-18(15-24)6-12-21/h1-12H,13-15H2
InChIKeySHBWBJOUUHHICU-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.06
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[4-(bromomethyl)phenyl]methanamine
CID 24721042
CID 57470384
CID 57470384
1-bromo-4-(bromomethyl)benzene;hydrofluoride
CID 175432482
[4-(bromomethyl)phenyl]-triphenylphosphanium
CID 102127372
4-(bromomethyl)benzenesulfinate
CID 66676411
[4-(iodomethyl)phenyl]-diphenylphosphane
CID 142704427
1,2,4,5-tetrakis[4-(bromomethyl)phenyl]benzene
CID 5064576
1-(bromomethyl)-4-[(1R,2S)-1,2-dibromo-2-[4-(bromomethyl)phenyl]ethyl]benzene
CID 98159586
magnesium;1-(bromomethyl)-4-fluorobenzene;hydride
CID 173010719
1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene
CID 174560327
ethane;tris(4-methylphenyl)phosphane
CID 145151678
sodium 4-(bromomethyl)benzoate
CID 23662147

Frequently Asked Questions

What is the IUPAC name of tris[4-(bromomethyl)phenyl]phosphane?
The IUPAC name of tris[4-(bromomethyl)phenyl]phosphane (CID 58675353) is tris[4-(bromomethyl)phenyl]phosphane.
What is the SMILES notation for tris[4-(bromomethyl)phenyl]phosphane?
The canonical SMILES for tris[4-(bromomethyl)phenyl]phosphane is BrCc1ccc(P(c2ccc(CBr)cc2)c2ccc(CBr)cc2)cc1.
What is the InChIKey of tris[4-(bromomethyl)phenyl]phosphane?
The InChIKey is SHBWBJOUUHHICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Br3P/c22-13-16-1-7-19(8-2-16)25(20-9-3-17(14-23)4-10-20)21-11-5-18(15-24)6-12-21/h1-12H,13-15H2.
What are the key properties of tris[4-(bromomethyl)phenyl]phosphane?
tris[4-(bromomethyl)phenyl]phosphane has a molecular weight of 541.06 g/mol, XLogP of 6.13, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[4-(bromomethyl)phenyl]phosphane is sourced from PubChem (CID 58675353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).