CID 11520809

C46H52Cl2FeP2Pd+2 — CID 11520809

IUPAC—
SMILESCC(C)c1ccccc1P([C]1[CH][CH][CH][CH]1)c1ccccc1C(C)C.CC(C)c1ccccc1P([C]1[CH][CH][CH][CH]1)c1ccccc1C(C)C.Cl[Pd]Cl.[Fe+2]
InChIInChI=1S/2C23H26P.2ClH.Fe.Pd/c2*1-17(2)20-13-7-9-15-22(20)24(19-11-5-6-12-19)23-16-10-8-14-21(23)18(3)4;;;;/h2*5-18H,1-4H3;2*1H;;/q;;;;2*+2/p-2
InChIKeyCLCHUZUSCWXKMN-UHFFFAOYSA-L
MW900.04 g/mol
LogP12.83
Rot. Bonds10

About CID 11520809

CID 11520809 (PubChem CID 11520809) has the molecular formula C46H52Cl2FeP2Pd+2 and a molecular weight of 900.04 g/mol.

Molecular Properties

Compound NameCID 11520809
PubChem CID11520809
Molecular FormulaC46H52Cl2FeP2Pd+2
Molecular Weight900.04 g/mol
Exact Mass898.13
IUPAC Name—
SMILESCC(C)c1ccccc1P([C]1[CH][CH][CH][CH]1)c1ccccc1C(C)C.CC(C)c1ccccc1P([C]1[CH][CH][CH][CH]1)c1ccccc1C(C)C.Cl[Pd]Cl.[Fe+2]
InChIInChI=1S/2C23H26P.2ClH.Fe.Pd/c2*1-17(2)20-13-7-9-15-22(20)24(19-11-5-6-12-19)23-16-10-8-14-21(23)18(3)4;;;;/h2*5-18H,1-4H3;2*1H;;/q;;;;2*+2/p-2
InChIKeyCLCHUZUSCWXKMN-UHFFFAOYSA-L
XLogP12.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.04
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 11520809?
The IUPAC name of CID 11520809 (CID 11520809) is not available.
What is the SMILES notation for CID 11520809?
The canonical SMILES for CID 11520809 is CC(C)c1ccccc1P([C]1[CH][CH][CH][CH]1)c1ccccc1C(C)C.CC(C)c1ccccc1P([C]1[CH][CH][CH][CH]1)c1ccccc1C(C)C.Cl[Pd]Cl.[Fe+2].
What is the InChIKey of CID 11520809?
The InChIKey is CLCHUZUSCWXKMN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C23H26P.2ClH.Fe.Pd/c2*1-17(2)20-13-7-9-15-22(20)24(19-11-5-6-12-19)23-16-10-8-14-21(23)18(3)4;;;;/h2*5-18H,1-4H3;2*1H;;/q;;;;2*+2/p-2.
What are the key properties of CID 11520809?
CID 11520809 has a molecular weight of 900.04 g/mol, XLogP of 12.83, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11520809 is sourced from PubChem (CID 11520809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).