CID 11125556

C30H23F6O3PW+ — CID 11125556

IUPAC—
SMILESC=C=CC(c1ccccc1)(c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[W+2]
InChIInChI=1S/C22H18.C5H5.3CO.F6P.W/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;1-2-4-5-3-1;3*1-2;1-7(2,3,4,5)6;/h3-18H,1H2;1-5H;;;;;/q;;;;;-1;+2
InChIKeyHUJUSGGIMOTYPB-UHFFFAOYSA-N
MW760.31 g/mol
LogP9.65
Rot. Bonds4

About CID 11125556

CID 11125556 (PubChem CID 11125556) has the molecular formula C30H23F6O3PW+ and a molecular weight of 760.31 g/mol.

Molecular Properties

Compound NameCID 11125556
PubChem CID11125556
Molecular FormulaC30H23F6O3PW+
Molecular Weight760.31 g/mol
Exact Mass760.08
IUPAC Name—
SMILESC=C=CC(c1ccccc1)(c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[W+2]
InChIInChI=1S/C22H18.C5H5.3CO.F6P.W/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;1-2-4-5-3-1;3*1-2;1-7(2,3,4,5)6;/h3-18H,1H2;1-5H;;;;;/q;;;;;-1;+2
InChIKeyHUJUSGGIMOTYPB-UHFFFAOYSA-N
XLogP9.65
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.31
LogP ≤ 59.65
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': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11125556?
The IUPAC name of CID 11125556 (CID 11125556) is not available.
What is the SMILES notation for CID 11125556?
The canonical SMILES for CID 11125556 is C=C=CC(c1ccccc1)(c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[W+2].
What is the InChIKey of CID 11125556?
The InChIKey is HUJUSGGIMOTYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18.C5H5.3CO.F6P.W/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;1-2-4-5-3-1;3*1-2;1-7(2,3,4,5)6;/h3-18H,1H2;1-5H;;;;;/q;;;;;-1;+2.
What are the key properties of CID 11125556?
CID 11125556 has a molecular weight of 760.31 g/mol, XLogP of 9.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11125556 is sourced from PubChem (CID 11125556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).