CID 173104995

C28H24Cl2SiZr — CID 173104995

IUPAC—
SMILESC[Si]C.Cl[Zr+2]Cl.c1ccc2c(c1)[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/2C13H9.C2H6Si.2ClH.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-2;;;/h2*1-9H;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyVPXCETQVVIAUJU-UHFFFAOYSA-L
MW550.72 g/mol
LogP9.59
Rot. Bonds

About CID 173104995

CID 173104995 (PubChem CID 173104995) has the molecular formula C28H24Cl2SiZr and a molecular weight of 550.72 g/mol.

Molecular Properties

Compound NameCID 173104995
PubChem CID173104995
Molecular FormulaC28H24Cl2SiZr
Molecular Weight550.72 g/mol
Exact Mass548.01
IUPAC Name—
SMILESC[Si]C.Cl[Zr+2]Cl.c1ccc2c(c1)[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/2C13H9.C2H6Si.2ClH.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-2;;;/h2*1-9H;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyVPXCETQVVIAUJU-UHFFFAOYSA-L
XLogP9.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.72
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 173225769
dichlorozirconium(2+);9H-fluoren-9-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 169048347
CID 173057300
CID 173057300
ethane;bis(9H-fluoren-9-ide);zirconium(2+)
CID 23215639
CID 158536136
CID 158536136
CID 173188454
CID 173188454
CID 174645912
CID 174645912
CID 175272464
CID 175272464
CID 173198959
CID 173198959
CID 173237181
CID 173237181
dichloro(ethylidene)zirconium;bis(9H-fluoren-9-ide)
CID 87673225
CID 173188060
CID 173188060

Frequently Asked Questions

What is the IUPAC name of CID 173104995?
The IUPAC name of CID 173104995 (CID 173104995) is not available.
What is the SMILES notation for CID 173104995?
The canonical SMILES for CID 173104995 is C[Si]C.Cl[Zr+2]Cl.c1ccc2c(c1)[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of CID 173104995?
The InChIKey is VPXCETQVVIAUJU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H9.C2H6Si.2ClH.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-2;;;/h2*1-9H;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173104995?
CID 173104995 has a molecular weight of 550.72 g/mol, XLogP of 9.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173104995 is sourced from PubChem (CID 173104995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).