CID 173188170

C24H26Cl2NOSiTi-2 — CID 173188170

IUPAC—
SMILESC[SiH]C.Cc1cccc(C)c1C([NH-])=O.Cl[Ti]Cl.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C9H11NO.C2H7Si.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-4-3-5-7(2)8(6)9(10)11;1-3-2;;;/h1-5,7-8H,9H2;3-5H,1-2H3,(H2,10,11);3H,1-2H3;2*1H;/q-1;;;;;+2/p-3
InChIKeyHIYQVXDWXRPIRV-UHFFFAOYSA-K
MW491.34 g/mol
LogP7.45
Rot. Bonds1

About CID 173188170

CID 173188170 (PubChem CID 173188170) has the molecular formula C24H26Cl2NOSiTi-2 and a molecular weight of 491.34 g/mol.

Molecular Properties

Compound NameCID 173188170
PubChem CID173188170
Molecular FormulaC24H26Cl2NOSiTi-2
Molecular Weight491.34 g/mol
Exact Mass490.07
IUPAC Name—
SMILESC[SiH]C.Cc1cccc(C)c1C([NH-])=O.Cl[Ti]Cl.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C9H11NO.C2H7Si.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-4-3-5-7(2)8(6)9(10)11;1-3-2;;;/h1-5,7-8H,9H2;3-5H,1-2H3,(H2,10,11);3H,1-2H3;2*1H;/q-1;;;;;+2/p-3
InChIKeyHIYQVXDWXRPIRV-UHFFFAOYSA-K
XLogP7.45
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.34
LogP ≤ 57.45
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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Related Compounds

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CID 173188127
CID 173188127
CID 173187991
CID 173187991
1,9-dihydrofluoren-1-ide;2,6-dimethylphenol;titanium(3+);dichloride
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CID 173188085
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CID 173187788
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Frequently Asked Questions

What is the IUPAC name of CID 173188170?
The IUPAC name of CID 173188170 (CID 173188170) is not available.
What is the SMILES notation for CID 173188170?
The canonical SMILES for CID 173188170 is C[SiH]C.Cc1cccc(C)c1C([NH-])=O.Cl[Ti]Cl.[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of CID 173188170?
The InChIKey is HIYQVXDWXRPIRV-UHFFFAOYSA-K. The full InChI is InChI=1S/C13H9.C9H11NO.C2H7Si.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-4-3-5-7(2)8(6)9(10)11;1-3-2;;;/h1-5,7-8H,9H2;3-5H,1-2H3,(H2,10,11);3H,1-2H3;2*1H;/q-1;;;;;+2/p-3.
What are the key properties of CID 173188170?
CID 173188170 has a molecular weight of 491.34 g/mol, XLogP of 7.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173188170 is sourced from PubChem (CID 173188170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).