CID 134927119

C27H26Fe2O14PRe2Te2 — CID 134927119

IUPAC—
SMILESC1CCC(PC2CCCCC2)CC1.C[Te].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Re].[Re].[Te]
InChIInChI=1S/C12H23P.14CO.CH3Te.2Fe.2Re.Te/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;15*1-2;;;;;/h11-13H,1-10H2;;;;;;;;;;;;;;;1H3;;;;;
InChIKeyWPHFGJOXVWFKPE-UHFFFAOYSA-N
MW1344.77 g/mol
LogP3.62
Rot. Bonds2

About CID 134927119

CID 134927119 (PubChem CID 134927119) has the molecular formula C27H26Fe2O14PRe2Te2 and a molecular weight of 1344.77 g/mol.

Molecular Properties

Compound NameCID 134927119
PubChem CID134927119
Molecular FormulaC27H26Fe2O14PRe2Te2
Molecular Weight1344.77 g/mol
Exact Mass1350.70
IUPAC Name—
SMILESC1CCC(PC2CCCCC2)CC1.C[Te].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Re].[Re].[Te]
InChIInChI=1S/C12H23P.14CO.CH3Te.2Fe.2Re.Te/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;15*1-2;;;;;/h11-13H,1-10H2;;;;;;;;;;;;;;;1H3;;;;;
InChIKeyWPHFGJOXVWFKPE-UHFFFAOYSA-N
XLogP3.62
TPSA278.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001344.77
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

di(cyclodecyl)phosphane
CID 18705980
cycloheptyl(cyclopentyl)phosphane
CID 69425956
cyclobutyl(cyclooctyl)phosphane
CID 69424806
dicyclohexylphosphane;gold
CID 167367243
cyclododecyl(cyclopropyl)phosphane
CID 69425218
dicyclopentylphosphane
CID 550272
dicyclohexylphosphane;iodomercury
CID 13153740
dicyclohexylphosphane;thiophene
CID 157393395
cycloundecyl(methyl)phosphane
CID 69425221
CID 134897454
CID 134897454
carbon monoxide;N,N'-dicyclohexylethane-1,2-diimine;iron
CID 533593
cyclohexyl-(2-ethylcyclohexyl)phosphane
CID 87187857

Frequently Asked Questions

What is the IUPAC name of CID 134927119?
The IUPAC name of CID 134927119 (CID 134927119) is not available.
What is the SMILES notation for CID 134927119?
The canonical SMILES for CID 134927119 is C1CCC(PC2CCCCC2)CC1.C[Te].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Re].[Re].[Te].
What is the InChIKey of CID 134927119?
The InChIKey is WPHFGJOXVWFKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23P.14CO.CH3Te.2Fe.2Re.Te/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;15*1-2;;;;;/h11-13H,1-10H2;;;;;;;;;;;;;;;1H3;;;;;.
What are the key properties of CID 134927119?
CID 134927119 has a molecular weight of 1344.77 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134927119 is sourced from PubChem (CID 134927119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).