(1,1-dibromo-2-diphenylphosphanylethyl)-diphenylphosphane

C26H22Br2P2 — CID 21297174

IUPAC(1,1-dibromo-2-diphenylphosphanylethyl)-diphenylphosphane
SMILESBrC(Br)(CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22Br2P2/c27-26(28,30(24-17-9-3-10-18-24)25-19-11-4-12-20-25)21-29(22-13-5-1-6-14-22)23-15-7-2-8-16-23/h1-20H,21H2
InChIKeyQFZAVFSEPORIKI-UHFFFAOYSA-N
MW556.22 g/mol
LogP6.70
Rot. Bonds7

About (1,1-dibromo-2-diphenylphosphanylethyl)-diphenylphosphane

(1,1-dibromo-2-diphenylphosphanylethyl)-diphenylphosphane (PubChem CID 21297174) has the molecular formula C26H22Br2P2 and a molecular weight of 556.22 g/mol. Its IUPAC name is (1,1-dibromo-2-diphenylphosphanylethyl)-diphenylphosphane.

Molecular Properties

Compound Name(1,1-dibromo-2-diphenylphosphanylethyl)-diphenylphosphane
PubChem CID21297174
Molecular FormulaC26H22Br2P2
Molecular Weight556.22 g/mol
Exact Mass553.96
IUPAC Name(1,1-dibromo-2-diphenylphosphanylethyl)-diphenylphosphane
SMILESBrC(Br)(CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22Br2P2/c27-26(28,30(24-17-9-3-10-18-24)25-19-11-4-12-20-25)21-29(22-13-5-1-6-14-22)23-15-7-2-8-16-23/h1-20H,21H2
InChIKeyQFZAVFSEPORIKI-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.22
LogP ≤ 56.70
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

1,2-bis(diphenylphosphanyl)ethane-1,1-dithiol
CID 88810681
(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+)
CID 131716311
[2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane
CID 22052782
(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;palladium
CID 175711479
(3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane
CID 159058846
2,2-dimethylpropyl(diphenyl)phosphane;formaldehyde;rhodium
CID 88689211
[2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane
CID 59318614
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
carbon monoxide;chromium;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane
CID 134898996
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
diphenylphosphanylmethyl(diphenyl)phosphane;ruthenium
CID 87761562
diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
CID 18991635

Frequently Asked Questions

What is the IUPAC name of (1,1-dibromo-2-diphenylphosphanylethyl)-diphenylphosphane?
The IUPAC name of (1,1-dibromo-2-diphenylphosphanylethyl)-diphenylphosphane (CID 21297174) is (1,1-dibromo-2-diphenylphosphanylethyl)-diphenylphosphane.
What is the SMILES notation for (1,1-dibromo-2-diphenylphosphanylethyl)-diphenylphosphane?
The canonical SMILES for (1,1-dibromo-2-diphenylphosphanylethyl)-diphenylphosphane is BrC(Br)(CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (1,1-dibromo-2-diphenylphosphanylethyl)-diphenylphosphane?
The InChIKey is QFZAVFSEPORIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Br2P2/c27-26(28,30(24-17-9-3-10-18-24)25-19-11-4-12-20-25)21-29(22-13-5-1-6-14-22)23-15-7-2-8-16-23/h1-20H,21H2.
What are the key properties of (1,1-dibromo-2-diphenylphosphanylethyl)-diphenylphosphane?
(1,1-dibromo-2-diphenylphosphanylethyl)-diphenylphosphane has a molecular weight of 556.22 g/mol, XLogP of 6.70, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dibromo-2-diphenylphosphanylethyl)-diphenylphosphane is sourced from PubChem (CID 21297174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).