CID 173242235

C22H33NSiTi-5 — CID 173242235

IUPAC—
SMILESCC(C)(C)N[SiH2].[CH3-].[CH3-].[CH3-].[CH3-].[Ti].[c-]1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H9.C4H12NSi.4CH3.Ti/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-4(2,3)5-6;;;;;/h1,3-10H;5H,6H2,1-3H3;4*1H3;/q-1;;4*-1;
InChIKeyNFFBXCWGLBJRNI-UHFFFAOYSA-N
MW387.47 g/mol
LogP5.51
Rot. Bonds

About CID 173242235

CID 173242235 (PubChem CID 173242235) has the molecular formula C22H33NSiTi-5 and a molecular weight of 387.47 g/mol.

Molecular Properties

Compound NameCID 173242235
PubChem CID173242235
Molecular FormulaC22H33NSiTi-5
Molecular Weight387.47 g/mol
Exact Mass387.19
IUPAC Name—
SMILESCC(C)(C)N[SiH2].[CH3-].[CH3-].[CH3-].[CH3-].[Ti].[c-]1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H9.C4H12NSi.4CH3.Ti/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-4(2,3)5-6;;;;;/h1,3-10H;5H,6H2,1-3H3;4*1H3;/q-1;;4*-1;
InChIKeyNFFBXCWGLBJRNI-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.47
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173242235?
The IUPAC name of CID 173242235 (CID 173242235) is not available.
What is the SMILES notation for CID 173242235?
The canonical SMILES for CID 173242235 is CC(C)(C)N[SiH2].[CH3-].[CH3-].[CH3-].[CH3-].[Ti].[c-]1ccc2c(c1)ccc1ccccc12.
What is the InChIKey of CID 173242235?
The InChIKey is NFFBXCWGLBJRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9.C4H12NSi.4CH3.Ti/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-4(2,3)5-6;;;;;/h1,3-10H;5H,6H2,1-3H3;4*1H3;/q-1;;4*-1;.
What are the key properties of CID 173242235?
CID 173242235 has a molecular weight of 387.47 g/mol, XLogP of 5.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173242235 is sourced from PubChem (CID 173242235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).