CID 149431812

C25H23SiZr — CID 149431812

IUPAC—
SMILES[SiH2]Cc1ccccc1.[Zr+2].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C7H9Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;8-6-7-4-2-1-3-5-7;/h2*1-7H;1-5H,6,8H2;/q2*-1;;+2
InChIKeyRIPNWAAGTISPTO-UHFFFAOYSA-N
MW442.77 g/mol
LogP5.93
Rot. Bonds1

About CID 149431812

CID 149431812 (PubChem CID 149431812) has the molecular formula C25H23SiZr and a molecular weight of 442.77 g/mol.

Molecular Properties

Compound NameCID 149431812
PubChem CID149431812
Molecular FormulaC25H23SiZr
Molecular Weight442.77 g/mol
Exact Mass441.06
IUPAC Name—
SMILES[SiH2]Cc1ccccc1.[Zr+2].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C7H9Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;8-6-7-4-2-1-3-5-7;/h2*1-7H;1-5H,6,8H2;/q2*-1;;+2
InChIKeyRIPNWAAGTISPTO-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.77
LogP ≤ 55.93
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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Frequently Asked Questions

What is the IUPAC name of CID 149431812?
The IUPAC name of CID 149431812 (CID 149431812) is not available.
What is the SMILES notation for CID 149431812?
The canonical SMILES for CID 149431812 is [SiH2]Cc1ccccc1.[Zr+2].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 149431812?
The InChIKey is RIPNWAAGTISPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7.C7H9Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;8-6-7-4-2-1-3-5-7;/h2*1-7H;1-5H,6,8H2;/q2*-1;;+2.
What are the key properties of CID 149431812?
CID 149431812 has a molecular weight of 442.77 g/mol, XLogP of 5.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 149431812 is sourced from PubChem (CID 149431812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).