CID 161101077

C28H25SiZr — CID 161101077

IUPAC—
SMILESC[SiH]C.[Zr+2].c1ccc2c(c1)ccc1cc[cH-]c12.c1ccc2c(c1)ccc1cc[cH-]c12
InChIInChI=1S/2C13H9.C2H7Si.Zr/c2*1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12;1-3-2;/h2*1-9H;3H,1-2H3;/q2*-1;;+2
InChIKeyJZSCCOVKUQAADP-UHFFFAOYSA-N
MW480.82 g/mol
LogP7.94
Rot. Bonds

About CID 161101077

CID 161101077 (PubChem CID 161101077) has the molecular formula C28H25SiZr and a molecular weight of 480.82 g/mol.

Molecular Properties

Compound NameCID 161101077
PubChem CID161101077
Molecular FormulaC28H25SiZr
Molecular Weight480.82 g/mol
Exact Mass479.08
IUPAC Name—
SMILESC[SiH]C.[Zr+2].c1ccc2c(c1)ccc1cc[cH-]c12.c1ccc2c(c1)ccc1cc[cH-]c12
InChIInChI=1S/2C13H9.C2H7Si.Zr/c2*1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12;1-3-2;/h2*1-9H;3H,1-2H3;/q2*-1;;+2
InChIKeyJZSCCOVKUQAADP-UHFFFAOYSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.82
LogP ≤ 57.94
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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Frequently Asked Questions

What is the IUPAC name of CID 161101077?
The IUPAC name of CID 161101077 (CID 161101077) is not available.
What is the SMILES notation for CID 161101077?
The canonical SMILES for CID 161101077 is C[SiH]C.[Zr+2].c1ccc2c(c1)ccc1cc[cH-]c12.c1ccc2c(c1)ccc1cc[cH-]c12.
What is the InChIKey of CID 161101077?
The InChIKey is JZSCCOVKUQAADP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9.C2H7Si.Zr/c2*1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12;1-3-2;/h2*1-9H;3H,1-2H3;/q2*-1;;+2.
What are the key properties of CID 161101077?
CID 161101077 has a molecular weight of 480.82 g/mol, XLogP of 7.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161101077 is sourced from PubChem (CID 161101077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).