CID 173221999

C24H26NOSiTi — CID 173221999

IUPAC—
SMILESC[SiH]C.Cc1cc(C)cc(C([NH-])=O)c1.[Ti+2].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C9H11NO.C2H7Si.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-3-7(2)5-8(4-6)9(10)11;1-3-2;/h1-5,7-8H,9H2;3-5H,1-2H3,(H2,10,11);3H,1-2H3;/q-1;;;+2/p-1
InChIKeyCBOBTIYLUSUXQJ-UHFFFAOYSA-M
MW420.43 g/mol
LogP6.07
Rot. Bonds1

About CID 173221999

CID 173221999 (PubChem CID 173221999) has the molecular formula C24H26NOSiTi and a molecular weight of 420.43 g/mol.

Molecular Properties

Compound NameCID 173221999
PubChem CID173221999
Molecular FormulaC24H26NOSiTi
Molecular Weight420.43 g/mol
Exact Mass420.13
IUPAC Name—
SMILESC[SiH]C.Cc1cc(C)cc(C([NH-])=O)c1.[Ti+2].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C9H11NO.C2H7Si.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-3-7(2)5-8(4-6)9(10)11;1-3-2;/h1-5,7-8H,9H2;3-5H,1-2H3,(H2,10,11);3H,1-2H3;/q-1;;;+2/p-1
InChIKeyCBOBTIYLUSUXQJ-UHFFFAOYSA-M
XLogP6.07
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.43
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 173221999?
The IUPAC name of CID 173221999 (CID 173221999) is not available.
What is the SMILES notation for CID 173221999?
The canonical SMILES for CID 173221999 is C[SiH]C.Cc1cc(C)cc(C([NH-])=O)c1.[Ti+2].[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of CID 173221999?
The InChIKey is CBOBTIYLUSUXQJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9.C9H11NO.C2H7Si.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-3-7(2)5-8(4-6)9(10)11;1-3-2;/h1-5,7-8H,9H2;3-5H,1-2H3,(H2,10,11);3H,1-2H3;/q-1;;;+2/p-1.
What are the key properties of CID 173221999?
CID 173221999 has a molecular weight of 420.43 g/mol, XLogP of 6.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173221999 is sourced from PubChem (CID 173221999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).