CID 173266362

C34H34SiTi — CID 173266362

IUPAC—
SMILESCc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[CH3-].[CH3-].[Ti+4].c1ccc([Si]c2ccccc2)cc1
InChIInChI=1S/C12H10Si.2C10H9.2CH3.Ti/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-8-6-9-4-2-3-5-10(9)7-8;;;/h1-10H;2*2-7H,1H3;2*1H3;/q;4*-1;+4
InChIKeyXHHZJNYYPGJISF-UHFFFAOYSA-N
MW518.60 g/mol
LogP7.97
Rot. Bonds2

About CID 173266362

CID 173266362 (PubChem CID 173266362) has the molecular formula C34H34SiTi and a molecular weight of 518.60 g/mol.

Molecular Properties

Compound NameCID 173266362
PubChem CID173266362
Molecular FormulaC34H34SiTi
Molecular Weight518.60 g/mol
Exact Mass518.19
IUPAC Name—
SMILESCc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[CH3-].[CH3-].[Ti+4].c1ccc([Si]c2ccccc2)cc1
InChIInChI=1S/C12H10Si.2C10H9.2CH3.Ti/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-8-6-9-4-2-3-5-10(9)7-8;;;/h1-10H;2*2-7H,1H3;2*1H3;/q;4*-1;+4
InChIKeyXHHZJNYYPGJISF-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.60
LogP ≤ 57.97
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 173266362?
The IUPAC name of CID 173266362 (CID 173266362) is not available.
What is the SMILES notation for CID 173266362?
The canonical SMILES for CID 173266362 is Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[CH3-].[CH3-].[Ti+4].c1ccc([Si]c2ccccc2)cc1.
What is the InChIKey of CID 173266362?
The InChIKey is XHHZJNYYPGJISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Si.2C10H9.2CH3.Ti/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-8-6-9-4-2-3-5-10(9)7-8;;;/h1-10H;2*2-7H,1H3;2*1H3;/q;4*-1;+4.
What are the key properties of CID 173266362?
CID 173266362 has a molecular weight of 518.60 g/mol, XLogP of 7.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173266362 is sourced from PubChem (CID 173266362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).