CID 11377421

C34H28Cl2CoFeP2+2 — CID 11377421

IUPAC—
SMILESCl[Co]Cl.[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[Fe+2]
InChIInChI=1S/2C17H14P.2ClH.Co.Fe/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;;;/h2*1-14H;2*1H;;/q;;;;2*+2/p-2
InChIKeyGZAGUYMSLGIZAX-UHFFFAOYSA-L
MW684.23 g/mol
LogP8.34
Rot. Bonds6

About CID 11377421

CID 11377421 (PubChem CID 11377421) has the molecular formula C34H28Cl2CoFeP2+2 and a molecular weight of 684.23 g/mol.

Molecular Properties

Compound NameCID 11377421
PubChem CID11377421
Molecular FormulaC34H28Cl2CoFeP2+2
Molecular Weight684.23 g/mol
Exact Mass682.97
IUPAC Name—
SMILESCl[Co]Cl.[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[Fe+2]
InChIInChI=1S/2C17H14P.2ClH.Co.Fe/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;;;/h2*1-14H;2*1H;;/q;;;;2*+2/p-2
InChIKeyGZAGUYMSLGIZAX-UHFFFAOYSA-L
XLogP8.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.23
LogP ≤ 58.34
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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Related Compounds

CID 10963695
CID 10963695
(1,1'-Bis(diphenylphosphino)ferrocene)tetracarbonyltungsten
CID 90474633
CID 45379131
CID 45379131
CID 11040480
CID 11040480
CID 134902805
CID 134902805
CID 16680633
CID 16680633
CID 11607656
CID 11607656
CID 62706137
CID 62706137
CID 10959964
CID 10959964
CID 135082204
CID 135082204
triphenylphosphane
CID 139056248
Dichloro[1,1-bis(diphenylphosphino)ferrocene](2-aminomethylpyridine)ruthenium(II)
CID 134159222

Frequently Asked Questions

What is the IUPAC name of CID 11377421?
The IUPAC name of CID 11377421 (CID 11377421) is not available.
What is the SMILES notation for CID 11377421?
The canonical SMILES for CID 11377421 is Cl[Co]Cl.[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[Fe+2].
What is the InChIKey of CID 11377421?
The InChIKey is GZAGUYMSLGIZAX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H14P.2ClH.Co.Fe/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;;;/h2*1-14H;2*1H;;/q;;;;2*+2/p-2.
What are the key properties of CID 11377421?
CID 11377421 has a molecular weight of 684.23 g/mol, XLogP of 8.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11377421 is sourced from PubChem (CID 11377421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).