CID 134991309

C26H34NSi2Yb- — CID 134991309

IUPAC—
SMILESC[Si](C)(C)[N-][Si](C)(C)C.[CH]1[CH][C](CC[C]2[CH][CH][C]3C=CC=C[C]32)[C]2C=CC=C[C]12.[Yb]
InChIInChI=1S/C20H16.C6H18NSi2.Yb/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;1-8(2,3)7-9(4,5)6;/h1-12H,13-14H2;1-6H3;/q;-1;
InChIKeyNKEBXSOECXJEIC-UHFFFAOYSA-N
MW589.78 g/mol
LogP7.34
Rot. Bonds5

About CID 134991309

CID 134991309 (PubChem CID 134991309) has the molecular formula C26H34NSi2Yb- and a molecular weight of 589.78 g/mol.

Molecular Properties

Compound NameCID 134991309
PubChem CID134991309
Molecular FormulaC26H34NSi2Yb-
Molecular Weight589.78 g/mol
Exact Mass590.16
IUPAC Name—
SMILESC[Si](C)(C)[N-][Si](C)(C)C.[CH]1[CH][C](CC[C]2[CH][CH][C]3C=CC=C[C]32)[C]2C=CC=C[C]12.[Yb]
InChIInChI=1S/C20H16.C6H18NSi2.Yb/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;1-8(2,3)7-9(4,5)6;/h1-12H,13-14H2;1-6H3;/q;-1;
InChIKeyNKEBXSOECXJEIC-UHFFFAOYSA-N
XLogP7.34
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.78
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 134991309 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 134991309?
The IUPAC name of CID 134991309 (CID 134991309) is not available.
What is the SMILES notation for CID 134991309?
The canonical SMILES for CID 134991309 is C[Si](C)(C)[N-][Si](C)(C)C.[CH]1[CH][C](CC[C]2[CH][CH][C]3C=CC=C[C]32)[C]2C=CC=C[C]12.[Yb].
What is the InChIKey of CID 134991309?
The InChIKey is NKEBXSOECXJEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16.C6H18NSi2.Yb/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;1-8(2,3)7-9(4,5)6;/h1-12H,13-14H2;1-6H3;/q;-1;.
What are the key properties of CID 134991309?
CID 134991309 has a molecular weight of 589.78 g/mol, XLogP of 7.34, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134991309 is sourced from PubChem (CID 134991309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).