CID 87864757

C22H24Cl2SiTi-4 — CID 87864757

IUPAC—
SMILESCc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[CH3-].[CH3-].[Cl-].[Cl-].[Si]=[Ti+2]
InChIInChI=1S/2C10H9.2CH3.2ClH.Si.Ti/c2*1-8-6-9-4-2-3-5-10(9)7-8;;;;;;/h2*2-7H,1H3;2*1H3;2*1H;;/q4*-1;;;;+2/p-2
InChIKeyNFUZUUGRUWMSEE-UHFFFAOYSA-L
MW435.29 g/mol
LogP0.26
Rot. Bonds

About CID 87864757

CID 87864757 (PubChem CID 87864757) has the molecular formula C22H24Cl2SiTi-4 and a molecular weight of 435.29 g/mol.

Molecular Properties

Compound NameCID 87864757
PubChem CID87864757
Molecular FormulaC22H24Cl2SiTi-4
Molecular Weight435.29 g/mol
Exact Mass434.05
IUPAC Name—
SMILESCc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[CH3-].[CH3-].[Cl-].[Cl-].[Si]=[Ti+2]
InChIInChI=1S/2C10H9.2CH3.2ClH.Si.Ti/c2*1-8-6-9-4-2-3-5-10(9)7-8;;;;;;/h2*2-7H,1H3;2*1H3;2*1H;;/q4*-1;;;;+2/p-2
InChIKeyNFUZUUGRUWMSEE-UHFFFAOYSA-L
XLogP0.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.29
LogP ≤ 50.26
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 CID 87864757 with MolForge

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

Launch Full Analysis

Related Compounds

CID 157447863
CID 157447863
chromium(2+);bis(2-methyl-1H-inden-1-ide)
CID 139887885
2-methyl-1H-inden-1-ide;praseodymium
CID 150206996
ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
CID 157150414
meso-Dimethylsilyl-bis-(2-methylindenyl)zirconium dichloride
CID 132989110
carbanide;hafnium;hafnium(4+);bis(2-methyl-1H-inden-1-ide);propane
CID 173263871
carbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide)
CID 173290342
CID 87107737
CID 87107737
CID 87865428
CID 87865428
diphenylsilylidenetitanium(2+);bis(2-methyl-1H-inden-1-ide);dichloride
CID 87675549
CID 159549239
CID 159549239
CID 173020208
CID 173020208

Frequently Asked Questions

What is the IUPAC name of CID 87864757?
The IUPAC name of CID 87864757 (CID 87864757) is not available.
What is the SMILES notation for CID 87864757?
The canonical SMILES for CID 87864757 is Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[CH3-].[CH3-].[Cl-].[Cl-].[Si]=[Ti+2].
What is the InChIKey of CID 87864757?
The InChIKey is NFUZUUGRUWMSEE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H9.2CH3.2ClH.Si.Ti/c2*1-8-6-9-4-2-3-5-10(9)7-8;;;;;;/h2*2-7H,1H3;2*1H3;2*1H;;/q4*-1;;;;+2/p-2.
What are the key properties of CID 87864757?
CID 87864757 has a molecular weight of 435.29 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87864757 is sourced from PubChem (CID 87864757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).