[4-[4-[[diphenyl(propan-2-yl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propan-2-ylphosphanium dibromide

C44H46Br2OP2 — CID 57342172

IUPAC[4-[4-[[diphenyl(propan-2-yl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propan-2-ylphosphanium dibromide
SMILESCC(C)[P+](Cc1ccc(Oc2ccc(C[P+](c3ccccc3)(c3ccccc3)C(C)C)cc2)cc1)(c1ccccc1)c1ccccc1.[Br-].[Br-]
InChIInChI=1S/C44H46OP2.2BrH/c1-35(2)46(41-17-9-5-10-18-41,42-19-11-6-12-20-42)33-37-25-29-39(30-26-37)45-40-31-27-38(28-32-40)34-47(36(3)4,43-21-13-7-14-22-43)44-23-15-8-16-24-44;;/h5-32,35-36H,33-34H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyMUGGYKUASZSZSL-UHFFFAOYSA-L
MW812.61 g/mol
LogP4.64
Rot. Bonds12

About [4-[4-[[diphenyl(propan-2-yl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propan-2-ylphosphanium dibromide

[4-[4-[[diphenyl(propan-2-yl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propan-2-ylphosphanium dibromide (PubChem CID 57342172) has the molecular formula C44H46Br2OP2 and a molecular weight of 812.61 g/mol. Its IUPAC name is [4-[4-[[diphenyl(propan-2-yl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propan-2-ylphosphanium dibromide.

Molecular Properties

Compound Name[4-[4-[[diphenyl(propan-2-yl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propan-2-ylphosphanium dibromide
PubChem CID57342172
Molecular FormulaC44H46Br2OP2
Molecular Weight812.61 g/mol
Exact Mass810.14
IUPAC Name[4-[4-[[diphenyl(propan-2-yl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propan-2-ylphosphanium dibromide
SMILESCC(C)[P+](Cc1ccc(Oc2ccc(C[P+](c3ccccc3)(c3ccccc3)C(C)C)cc2)cc1)(c1ccccc1)c1ccccc1.[Br-].[Br-]
InChIInChI=1S/C44H46OP2.2BrH/c1-35(2)46(41-17-9-5-10-18-41,42-19-11-6-12-20-42)33-37-25-29-39(30-26-37)45-40-31-27-38(28-32-40)34-47(36(3)4,43-21-13-7-14-22-43)44-23-15-8-16-24-44;;/h5-32,35-36H,33-34H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyMUGGYKUASZSZSL-UHFFFAOYSA-L
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500812.61
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[[diphenyl(propan-2-yl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propan-2-ylphosphanium dibromide?
The IUPAC name of [4-[4-[[diphenyl(propan-2-yl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propan-2-ylphosphanium dibromide (CID 57342172) is [4-[4-[[diphenyl(propan-2-yl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propan-2-ylphosphanium dibromide.
What is the SMILES notation for [4-[4-[[diphenyl(propan-2-yl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propan-2-ylphosphanium dibromide?
The canonical SMILES for [4-[4-[[diphenyl(propan-2-yl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propan-2-ylphosphanium dibromide is CC(C)[P+](Cc1ccc(Oc2ccc(C[P+](c3ccccc3)(c3ccccc3)C(C)C)cc2)cc1)(c1ccccc1)c1ccccc1.[Br-].[Br-].
What is the InChIKey of [4-[4-[[diphenyl(propan-2-yl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propan-2-ylphosphanium dibromide?
The InChIKey is MUGGYKUASZSZSL-UHFFFAOYSA-L. The full InChI is InChI=1S/C44H46OP2.2BrH/c1-35(2)46(41-17-9-5-10-18-41,42-19-11-6-12-20-42)33-37-25-29-39(30-26-37)45-40-31-27-38(28-32-40)34-47(36(3)4,43-21-13-7-14-22-43)44-23-15-8-16-24-44;;/h5-32,35-36H,33-34H2,1-4H3;2*1H/q+2;;/p-2.
What are the key properties of [4-[4-[[diphenyl(propan-2-yl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propan-2-ylphosphanium dibromide?
[4-[4-[[diphenyl(propan-2-yl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propan-2-ylphosphanium dibromide has a molecular weight of 812.61 g/mol, XLogP of 4.64, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[[diphenyl(propan-2-yl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propan-2-ylphosphanium dibromide is sourced from PubChem (CID 57342172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).