CID 11600484

C40H58F6FeO4P2Ru+4 — CID 11600484

IUPAC—
SMILESC[C@H]([C]1[CH][CH][CH][C]1P(C1CCCCC1)C1CCCCC1)P(C1CCCCC1)C1CCCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Ru+2]
InChIInChI=1S/C31H51P2.C5H5.2C2HF3O2.Fe.Ru/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29;1-2-4-5-3-1;2*3-2(4,5)1(6)7;;/h14,23-29H,2-13,15-22H2,1H3;1-5H;2*(H,6,7);;/q;;;;2*+2/t25-;;;;;/m1...../s1
InChIKeyJJRCFAWHRXWRQQ-PZHSBIEDSA-N
MW935.75 g/mol
LogP12.69
Rot. Bonds7

About CID 11600484

CID 11600484 (PubChem CID 11600484) has the molecular formula C40H58F6FeO4P2Ru+4 and a molecular weight of 935.75 g/mol.

Molecular Properties

Compound NameCID 11600484
PubChem CID11600484
Molecular FormulaC40H58F6FeO4P2Ru+4
Molecular Weight935.75 g/mol
Exact Mass936.21
IUPAC Name—
SMILESC[C@H]([C]1[CH][CH][CH][C]1P(C1CCCCC1)C1CCCCC1)P(C1CCCCC1)C1CCCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Ru+2]
InChIInChI=1S/C31H51P2.C5H5.2C2HF3O2.Fe.Ru/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29;1-2-4-5-3-1;2*3-2(4,5)1(6)7;;/h14,23-29H,2-13,15-22H2,1H3;1-5H;2*(H,6,7);;/q;;;;2*+2/t25-;;;;;/m1...../s1
InChIKeyJJRCFAWHRXWRQQ-PZHSBIEDSA-N
XLogP12.69
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.75
LogP ≤ 512.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11600484?
The IUPAC name of CID 11600484 (CID 11600484) is not available.
What is the SMILES notation for CID 11600484?
The canonical SMILES for CID 11600484 is C[C@H]([C]1[CH][CH][CH][C]1P(C1CCCCC1)C1CCCCC1)P(C1CCCCC1)C1CCCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Ru+2].
What is the InChIKey of CID 11600484?
The InChIKey is JJRCFAWHRXWRQQ-PZHSBIEDSA-N. The full InChI is InChI=1S/C31H51P2.C5H5.2C2HF3O2.Fe.Ru/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29;1-2-4-5-3-1;2*3-2(4,5)1(6)7;;/h14,23-29H,2-13,15-22H2,1H3;1-5H;2*(H,6,7);;/q;;;;2*+2/t25-;;;;;/m1...../s1.
What are the key properties of CID 11600484?
CID 11600484 has a molecular weight of 935.75 g/mol, XLogP of 12.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11600484 is sourced from PubChem (CID 11600484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).