CID 161097193

C24H27SiTi — CID 161097193

IUPAC—
SMILESC[SiH]C.[Ti+2].c1cc[cH-]c1.c1cc[cH-]c1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.2C5H5.C2H7Si.Ti/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-4-5-3-1;1-3-2;/h1-10H;2*1-5H;3H,1-2H3;/q;2*-1;;+2
InChIKeyACXHBBKAIJGGKL-UHFFFAOYSA-N
MW391.43 g/mol
LogP6.68
Rot. Bonds1

About CID 161097193

CID 161097193 (PubChem CID 161097193) has the molecular formula C24H27SiTi and a molecular weight of 391.43 g/mol.

Molecular Properties

Compound NameCID 161097193
PubChem CID161097193
Molecular FormulaC24H27SiTi
Molecular Weight391.43 g/mol
Exact Mass391.14
IUPAC Name—
SMILESC[SiH]C.[Ti+2].c1cc[cH-]c1.c1cc[cH-]c1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.2C5H5.C2H7Si.Ti/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-4-5-3-1;1-3-2;/h1-10H;2*1-5H;3H,1-2H3;/q;2*-1;;+2
InChIKeyACXHBBKAIJGGKL-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 56.68
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 161097193 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

1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
benzene;1,1'-biphenyl;ethane
CID 158550617
benzene;tris(1,1'-biphenyl)
CID 162155747
1,1'-biphenyl;toluene
CID 18366440
1,4-diphenylbenzene;ethane;methanamine
CID 168951795
benzene;1,1'-biphenyl;ethane;methane
CID 161215689
1,1'-biphenyl;ethane;hydrobromide
CID 90342014
CID 162140615
CID 162140615
1,1'-biphenyl;mercury
CID 67099988
1,1'-biphenyl;hydrofluoride
CID 67516975
bis(1,1'-biphenyl);sulfane
CID 22247507

Frequently Asked Questions

What is the IUPAC name of CID 161097193?
The IUPAC name of CID 161097193 (CID 161097193) is not available.
What is the SMILES notation for CID 161097193?
The canonical SMILES for CID 161097193 is C[SiH]C.[Ti+2].c1cc[cH-]c1.c1cc[cH-]c1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of CID 161097193?
The InChIKey is ACXHBBKAIJGGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.2C5H5.C2H7Si.Ti/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-4-5-3-1;1-3-2;/h1-10H;2*1-5H;3H,1-2H3;/q;2*-1;;+2.
What are the key properties of CID 161097193?
CID 161097193 has a molecular weight of 391.43 g/mol, XLogP of 6.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161097193 is sourced from PubChem (CID 161097193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).