CID 173225769

C28H24SiV — CID 173225769

IUPAC—
SMILESC[Si]C.[V+2].c1ccc2c(c1)[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/2C13H9.C2H6Si.V/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;/q2*-1;;+2
InChIKeyQVHKJXOJKCWMPW-UHFFFAOYSA-N
MW439.53 g/mol
LogP8.21
Rot. Bonds

About CID 173225769

CID 173225769 (PubChem CID 173225769) has the molecular formula C28H24SiV and a molecular weight of 439.53 g/mol.

Molecular Properties

Compound NameCID 173225769
PubChem CID173225769
Molecular FormulaC28H24SiV
Molecular Weight439.53 g/mol
Exact Mass439.11
IUPAC Name—
SMILESC[Si]C.[V+2].c1ccc2c(c1)[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/2C13H9.C2H6Si.V/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;/q2*-1;;+2
InChIKeyQVHKJXOJKCWMPW-UHFFFAOYSA-N
XLogP8.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.53
LogP ≤ 58.21
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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cyclopenta-1,3-diene;dichloro(methylidene)hafnium;9H-fluoren-9-ide
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Frequently Asked Questions

What is the IUPAC name of CID 173225769?
The IUPAC name of CID 173225769 (CID 173225769) is not available.
What is the SMILES notation for CID 173225769?
The canonical SMILES for CID 173225769 is C[Si]C.[V+2].c1ccc2c(c1)[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of CID 173225769?
The InChIKey is QVHKJXOJKCWMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9.C2H6Si.V/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;/q2*-1;;+2.
What are the key properties of CID 173225769?
CID 173225769 has a molecular weight of 439.53 g/mol, XLogP of 8.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173225769 is sourced from PubChem (CID 173225769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).