[4-[2-(cyclohexylmethylidene)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;zirconium

C25H29SiZr- — CID 150657564

IUPAC[4-[2-(cyclohexylmethylidene)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;zirconium
SMILESC[Si](C)(C)c1ccc(-c2cccc3c2=CC(=CC2CCCCC2)[C-]=3)cc1.[Zr]
InChIInChI=1S/C25H29Si.Zr/c1-26(2,3)23-14-12-21(13-15-23)24-11-7-10-22-17-20(18-25(22)24)16-19-8-5-4-6-9-19;/h7,10-16,18-19H,4-6,8-9H2,1-3H3;/q-1;
InChIKeyNEQNDVJZKPSXSG-UHFFFAOYSA-N
MW448.82 g/mol
LogP4.85
Rot. Bonds3

About [4-[2-(cyclohexylmethylidene)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;zirconium

[4-[2-(cyclohexylmethylidene)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;zirconium (PubChem CID 150657564) has the molecular formula C25H29SiZr- and a molecular weight of 448.82 g/mol. Its IUPAC name is [4-[2-(cyclohexylmethylidene)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;zirconium.

Molecular Properties

Compound Name[4-[2-(cyclohexylmethylidene)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;zirconium
PubChem CID150657564
Molecular FormulaC25H29SiZr-
Molecular Weight448.82 g/mol
Exact Mass447.11
IUPAC Name[4-[2-(cyclohexylmethylidene)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;zirconium
SMILESC[Si](C)(C)c1ccc(-c2cccc3c2=CC(=CC2CCCCC2)[C-]=3)cc1.[Zr]
InChIInChI=1S/C25H29Si.Zr/c1-26(2,3)23-14-12-21(13-15-23)24-11-7-10-22-17-20(18-25(22)24)16-19-8-5-4-6-9-19;/h7,10-16,18-19H,4-6,8-9H2,1-3H3;/q-1;
InChIKeyNEQNDVJZKPSXSG-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.82
LogP ≤ 54.85
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'}

Analyze [4-[2-(cyclohexylmethylidene)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;zirconium 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 [4-[2-(cyclohexylmethylidene)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;zirconium?
The IUPAC name of [4-[2-(cyclohexylmethylidene)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;zirconium (CID 150657564) is [4-[2-(cyclohexylmethylidene)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;zirconium.
What is the SMILES notation for [4-[2-(cyclohexylmethylidene)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;zirconium?
The canonical SMILES for [4-[2-(cyclohexylmethylidene)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;zirconium is C[Si](C)(C)c1ccc(-c2cccc3c2=CC(=CC2CCCCC2)[C-]=3)cc1.[Zr].
What is the InChIKey of [4-[2-(cyclohexylmethylidene)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;zirconium?
The InChIKey is NEQNDVJZKPSXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Si.Zr/c1-26(2,3)23-14-12-21(13-15-23)24-11-7-10-22-17-20(18-25(22)24)16-19-8-5-4-6-9-19;/h7,10-16,18-19H,4-6,8-9H2,1-3H3;/q-1;.
What are the key properties of [4-[2-(cyclohexylmethylidene)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;zirconium?
[4-[2-(cyclohexylmethylidene)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;zirconium has a molecular weight of 448.82 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(cyclohexylmethylidene)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;zirconium is sourced from PubChem (CID 150657564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).