CID 173148685

C13H18F6IO19Sb6-11 — CID 173148685

IUPAC—
SMILESCOc1ccc([I+]c2ccccc2)cc1.F.F.F.F.F.F.O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-]
InChIInChI=1S/C13H12IO.6FH.18O.6Sb/c1-15-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-10H,1H3;6*1H;;;;;;;;;;;;;;;;;;;;;;;;/q+1;;;;;;;;;;;;;12*-1;;;;;;
InChIKeyFFPMQVNAOBGQND-UHFFFAOYSA-N
MW1449.72 g/mol
LogP-16.53
Rot. Bonds3

About CID 173148685

CID 173148685 (PubChem CID 173148685) has the molecular formula C13H18F6IO19Sb6-11 and a molecular weight of 1449.72 g/mol.

Molecular Properties

Compound NameCID 173148685
PubChem CID173148685
Molecular FormulaC13H18F6IO19Sb6-11
Molecular Weight1449.72 g/mol
Exact Mass1444.37
IUPAC Name—
SMILESCOc1ccc([I+]c2ccccc2)cc1.F.F.F.F.F.F.O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-]
InChIInChI=1S/C13H12IO.6FH.18O.6Sb/c1-15-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-10H,1H3;6*1H;;;;;;;;;;;;;;;;;;;;;;;;/q+1;;;;;;;;;;;;;12*-1;;;;;;
InChIKeyFFPMQVNAOBGQND-UHFFFAOYSA-N
XLogP-16.53
TPSA388.37 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001449.72
LogP ≤ 5-16.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
bis(4-methoxyphenyl)iodanium;hydrobromide
CID 54610326
octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane)
CID 173216110
(4-methoxyphenyl)-(3-phenyliodonio-2-bicyclo[2.2.1]hepta-2,5-dienyl)iodanium
CID 157388486
anisole;trihydrofluoride
CID 174796385
(4-methoxyphenyl)-pyridin-3-yliodanium
CID 24871781
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
CID 134955785
bis((2-methoxyphenyl)-(4-methoxyphenyl)iodanium) difluoride
CID 173065758
[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium
CID 87105153
CID 172685187
CID 172685187

Frequently Asked Questions

What is the IUPAC name of CID 173148685?
The IUPAC name of CID 173148685 (CID 173148685) is not available.
What is the SMILES notation for CID 173148685?
The canonical SMILES for CID 173148685 is COc1ccc([I+]c2ccccc2)cc1.F.F.F.F.F.F.O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].O=[Sb]([O-])[O-].
What is the InChIKey of CID 173148685?
The InChIKey is FFPMQVNAOBGQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IO.6FH.18O.6Sb/c1-15-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-10H,1H3;6*1H;;;;;;;;;;;;;;;;;;;;;;;;/q+1;;;;;;;;;;;;;12*-1;;;;;;.
What are the key properties of CID 173148685?
CID 173148685 has a molecular weight of 1449.72 g/mol, XLogP of -16.53, 3 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173148685 is sourced from PubChem (CID 173148685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).