tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)

C96H80O14P4Re4-24 — CID 139134309

IUPACtetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)
SMILES[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Re].[Re].[Re].[Re].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C24H20P.14O.4Re/c4*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;;;;;;;;;;;;;;;;;;/h4*1-20H;;;;;;;;;;;;;;;;;;/q4*+1;14*-2;;;;
InChIKeyNJRFEKWUHDOJIB-UHFFFAOYSA-N
MW2326.41 g/mol
LogP15.55
Rot. Bonds16

About tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)

tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium) (PubChem CID 139134309) has the molecular formula C96H80O14P4Re4-24 and a molecular weight of 2326.41 g/mol. Its IUPAC name is tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium).

Molecular Properties

Compound Nametetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)
PubChem CID139134309
Molecular FormulaC96H80O14P4Re4-24
Molecular Weight2326.41 g/mol
Exact Mass2328.29
IUPAC Nametetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)
SMILES[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Re].[Re].[Re].[Re].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C24H20P.14O.4Re/c4*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;;;;;;;;;;;;;;;;;;/h4*1-20H;;;;;;;;;;;;;;;;;;/q4*+1;14*-2;;;;
InChIKeyNJRFEKWUHDOJIB-UHFFFAOYSA-N
XLogP15.55
TPSA399.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002326.41
LogP ≤ 515.55
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

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CID 76575044
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CID 173166250
hydrogen borate;bis(tetraphenylphosphanium)
CID 174383886
tetraphenylphosphanium isocyanate
CID 23311576
(4-phenoxyphenyl)-triphenylphosphanium
CID 102105381
triphenyl-(1,1,3,3-tetraphenyl-4-triphenylphosphaniumyl-1λ5,3λ5-diphosphacyclobuta-1,3-dien-2-yl)phosphanium
CID 23280121
[4,6-bis(triphenylphosphaniumyl)-1,3,5-triphosphinin-2-yl]-triphenylphosphanium
CID 134915224
[4-(bromomethyl)phenyl]-triphenylphosphanium
CID 102127372
triphenyl-(4-propan-2-ylphenyl)phosphanium chloride
CID 157172125
(4-chlorophenyl)-triphenylphosphanium;silicic acid
CID 88685477
tris(naphthalen-2-yl(triphenyl)phosphanium);tribromide
CID 159751950

Frequently Asked Questions

What is the IUPAC name of tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)?
The IUPAC name of tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium) (CID 139134309) is tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium).
What is the SMILES notation for tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)?
The canonical SMILES for tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium) is [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Re].[Re].[Re].[Re].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)?
The InChIKey is NJRFEKWUHDOJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C24H20P.14O.4Re/c4*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;;;;;;;;;;;;;;;;;;/h4*1-20H;;;;;;;;;;;;;;;;;;/q4*+1;14*-2;;;;.
What are the key properties of tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)?
tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium) has a molecular weight of 2326.41 g/mol, XLogP of 15.55, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium) is sourced from PubChem (CID 139134309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).