CID 50897341

C34H29CoF13P3 — CID 50897341

IUPAC—
SMILESF[C-](C(F)(F)F)C(F)(F)F.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Co+2].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C5H5.C3F7.Co.F6P/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-2-4-5-3-1;4-1(2(5,6)7)3(8,9)10;;1-7(2,3,4,5)6/h1-20H,21-22H2;1-5H;;;/q;;-1;+2;-1
InChIKeyNCOPQGKGCRAPLT-UHFFFAOYSA-N
MW836.44 g/mol
LogP12.27
Rot. Bonds7

About CID 50897341

CID 50897341 (PubChem CID 50897341) has the molecular formula C34H29CoF13P3 and a molecular weight of 836.44 g/mol.

Molecular Properties

Compound NameCID 50897341
PubChem CID50897341
Molecular FormulaC34H29CoF13P3
Molecular Weight836.44 g/mol
Exact Mass836.06
IUPAC Name—
SMILESF[C-](C(F)(F)F)C(F)(F)F.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Co+2].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C5H5.C3F7.Co.F6P/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-2-4-5-3-1;4-1(2(5,6)7)3(8,9)10;;1-7(2,3,4,5)6/h1-20H,21-22H2;1-5H;;;/q;;-1;+2;-1
InChIKeyNCOPQGKGCRAPLT-UHFFFAOYSA-N
XLogP12.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.44
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 50897341?
The IUPAC name of CID 50897341 (CID 50897341) is not available.
What is the SMILES notation for CID 50897341?
The canonical SMILES for CID 50897341 is F[C-](C(F)(F)F)C(F)(F)F.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Co+2].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 50897341?
The InChIKey is NCOPQGKGCRAPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24P2.C5H5.C3F7.Co.F6P/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-2-4-5-3-1;4-1(2(5,6)7)3(8,9)10;;1-7(2,3,4,5)6/h1-20H,21-22H2;1-5H;;;/q;;-1;+2;-1.
What are the key properties of CID 50897341?
CID 50897341 has a molecular weight of 836.44 g/mol, XLogP of 12.27, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 50897341 is sourced from PubChem (CID 50897341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).