CID 174380723

C40H60Cl2SiZr — CID 174380723

IUPAC—
SMILESCC(C)c1cc(C(C)C)c2cc(C(C)(C)C)[cH-]c2c1.CC(C)c1cc(C(C)C)c2cc(C(C)(C)C)[cH-]c2c1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C19H27.C2H6Si.2ClH.Zr/c2*1-12(2)14-8-15-9-16(19(5,6)7)11-18(15)17(10-14)13(3)4;1-3-2;;;/h2*8-13H,1-7H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyTWWXEIYWJGRUQU-UHFFFAOYSA-L
MW731.14 g/mol
LogP14.37
Rot. Bonds4

About CID 174380723

CID 174380723 (PubChem CID 174380723) has the molecular formula C40H60Cl2SiZr and a molecular weight of 731.14 g/mol.

Molecular Properties

Compound NameCID 174380723
PubChem CID174380723
Molecular FormulaC40H60Cl2SiZr
Molecular Weight731.14 g/mol
Exact Mass728.29
IUPAC Name—
SMILESCC(C)c1cc(C(C)C)c2cc(C(C)(C)C)[cH-]c2c1.CC(C)c1cc(C(C)C)c2cc(C(C)(C)C)[cH-]c2c1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C19H27.C2H6Si.2ClH.Zr/c2*1-12(2)14-8-15-9-16(19(5,6)7)11-18(15)17(10-14)13(3)4;1-3-2;;;/h2*8-13H,1-7H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyTWWXEIYWJGRUQU-UHFFFAOYSA-L
XLogP14.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.14
LogP ≤ 514.37
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 174380723 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

CID 173177901
CID 173177901
CID 174379553
CID 174379553
carbanide;ethene;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);zirconium(3+)
CID 161496120
dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide)
CID 173247752
dimethylsilylidenezirconium(2+);bis(2,4,6-tri(propan-2-yl)-1H-inden-1-ide);dichloride
CID 158166164
CID 173229784
CID 173229784
CID 173178860
CID 173178860
CID 173178024
CID 173178024
CID 173178420
CID 173178420
CID 173312539
CID 173312539
CID 173263595
CID 173263595
CID 173263867
CID 173263867

Frequently Asked Questions

What is the IUPAC name of CID 174380723?
The IUPAC name of CID 174380723 (CID 174380723) is not available.
What is the SMILES notation for CID 174380723?
The canonical SMILES for CID 174380723 is CC(C)c1cc(C(C)C)c2cc(C(C)(C)C)[cH-]c2c1.CC(C)c1cc(C(C)C)c2cc(C(C)(C)C)[cH-]c2c1.C[Si]C.Cl[Zr+2]Cl.
What is the InChIKey of CID 174380723?
The InChIKey is TWWXEIYWJGRUQU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C19H27.C2H6Si.2ClH.Zr/c2*1-12(2)14-8-15-9-16(19(5,6)7)11-18(15)17(10-14)13(3)4;1-3-2;;;/h2*8-13H,1-7H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 174380723?
CID 174380723 has a molecular weight of 731.14 g/mol, XLogP of 14.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174380723 is sourced from PubChem (CID 174380723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).