copper(1+);triphenylphosphane;bromide

C18H15BrCuP — CID 87491658

IUPACcopper(1+);triphenylphosphane;bromide
SMILES[Br-].[Cu+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.BrH.Cu/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-15H;1H;/q;;+1/p-1
InChIKeyTUPXJWBWBIYCNO-UHFFFAOYSA-M
MW405.74 g/mol
LogP0.45
Rot. Bonds3

About copper(1+);triphenylphosphane;bromide

copper(1+);triphenylphosphane;bromide (PubChem CID 87491658) has the molecular formula C18H15BrCuP and a molecular weight of 405.74 g/mol. Its IUPAC name is copper(1+);triphenylphosphane;bromide.

Molecular Properties

Compound Namecopper(1+);triphenylphosphane;bromide
PubChem CID87491658
Molecular FormulaC18H15BrCuP
Molecular Weight405.74 g/mol
Exact Mass403.94
IUPAC Namecopper(1+);triphenylphosphane;bromide
SMILES[Br-].[Cu+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.BrH.Cu/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-15H;1H;/q;;+1/p-1
InChIKeyTUPXJWBWBIYCNO-UHFFFAOYSA-M
XLogP0.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.74
LogP ≤ 50.45
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

triphenylphosphane
CID 139056248
palladium;bis(triphenylphosphane)
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tris(triphenylphosphane);trihydrochloride
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tris(triphenylphosphane);hydrobromide
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tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
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CID 161300359
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CID 172730134
CID 87948921
CID 87948921
triphenylphosphane;octahydrochloride
CID 172751742

Frequently Asked Questions

What is the IUPAC name of copper(1+);triphenylphosphane;bromide?
The IUPAC name of copper(1+);triphenylphosphane;bromide (CID 87491658) is copper(1+);triphenylphosphane;bromide.
What is the SMILES notation for copper(1+);triphenylphosphane;bromide?
The canonical SMILES for copper(1+);triphenylphosphane;bromide is [Br-].[Cu+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of copper(1+);triphenylphosphane;bromide?
The InChIKey is TUPXJWBWBIYCNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15P.BrH.Cu/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-15H;1H;/q;;+1/p-1.
What are the key properties of copper(1+);triphenylphosphane;bromide?
copper(1+);triphenylphosphane;bromide has a molecular weight of 405.74 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);triphenylphosphane;bromide is sourced from PubChem (CID 87491658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).