bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane

C46H36Br2F6P2 — CID 59260573

IUPACbromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane
SMILESFC(F)(F)c1cc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)c(C(F)(F)F)cc1CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C46H36Br2F6P2/c47-55(37-19-7-1-8-20-37,38-21-9-2-10-22-38,39-23-11-3-12-24-39)33-35-31-44(46(52,53)54)36(32-43(35)45(49,50)51)34-56(48,40-25-13-4-14-26-40,41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-32H,33-34H2
InChIKeyLQQBQOXFHLGTJR-UHFFFAOYSA-N
MW924.54 g/mol
LogP12.40
Rot. Bonds10

About bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane

bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane (PubChem CID 59260573) has the molecular formula C46H36Br2F6P2 and a molecular weight of 924.54 g/mol. Its IUPAC name is bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane
PubChem CID59260573
Molecular FormulaC46H36Br2F6P2
Molecular Weight924.54 g/mol
Exact Mass922.06
IUPAC Namebromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane
SMILESFC(F)(F)c1cc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)c(C(F)(F)F)cc1CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C46H36Br2F6P2/c47-55(37-19-7-1-8-20-37,38-21-9-2-10-22-38,39-23-11-3-12-24-39)33-35-31-44(46(52,53)54)36(32-43(35)45(49,50)51)34-56(48,40-25-13-4-14-26-40,41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-32H,33-34H2
InChIKeyLQQBQOXFHLGTJR-UHFFFAOYSA-N
XLogP12.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.54
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane with MolForge

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Related Compounds

methyl 5-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2-(trifluoromethyl)benzoate
CID 139792660
bromo-[(2-bromo-5-fluorophenyl)methyl]-triphenyl-lambda5-phosphane
CID 13426565
2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-5-methylbenzenethiol
CID 139696816
2-[bromo(triphenyl)-λ5-phosphanyl]-1-[4-(trifluoromethyl)phenyl]ethanone
CID 142893884
4-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenyl]phenol
CID 164679038
bromo-triphenyl-(pyridin-2-ylmethyl)-λ5-phosphane
CID 12582533
2-[2-(trifluoromethyl)phenyl]acetyl bromide
CID 141376906
3-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid
CID 162738234
3-[[bromo(triphenyl)-lambda5-phosphanyl]methyl]benzaldehyde
CID 13131456
4-(bromomethyl)-3-(trifluoromethyl)benzoic acid
CID 23145893
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
1-bromo-2-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzene
CID 134856617

Frequently Asked Questions

What is the IUPAC name of bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane?
The IUPAC name of bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane (CID 59260573) is bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane.
What is the SMILES notation for bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane?
The canonical SMILES for bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane is FC(F)(F)c1cc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)c(C(F)(F)F)cc1CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane?
The InChIKey is LQQBQOXFHLGTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36Br2F6P2/c47-55(37-19-7-1-8-20-37,38-21-9-2-10-22-38,39-23-11-3-12-24-39)33-35-31-44(46(52,53)54)36(32-43(35)45(49,50)51)34-56(48,40-25-13-4-14-26-40,41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-32H,33-34H2.
What are the key properties of bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane?
bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane has a molecular weight of 924.54 g/mol, XLogP of 12.40, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,5-bis(trifluoromethyl)phenyl]methyl]-triphenyl-λ5-phosphane is sourced from PubChem (CID 59260573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).