CID 173068361

C56H72Cl2SiZr — CID 173068361

IUPAC—
SMILESCCCC1(Cc2cc3c(-c4ccc(C)cc4)cccc3[cH-]2)CCCCCC1.CCCC1(Cc2cc3c(-c4ccc(C)cc4)cccc3[cH-]2)CCCCCC1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C27H33.C2H6Si.2ClH.Zr/c2*1-3-15-27(16-6-4-5-7-17-27)20-22-18-24-9-8-10-25(26(24)19-22)23-13-11-21(2)12-14-23;1-3-2;;;/h2*8-14,18-19H,3-7,15-17,20H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyQUEDVQMAJWDSGY-UHFFFAOYSA-L
MW935.41 g/mol
LogP18.60
Rot. Bonds10

About CID 173068361

CID 173068361 (PubChem CID 173068361) has the molecular formula C56H72Cl2SiZr and a molecular weight of 935.41 g/mol.

Molecular Properties

Compound NameCID 173068361
PubChem CID173068361
Molecular FormulaC56H72Cl2SiZr
Molecular Weight935.41 g/mol
Exact Mass932.38
IUPAC Name—
SMILESCCCC1(Cc2cc3c(-c4ccc(C)cc4)cccc3[cH-]2)CCCCCC1.CCCC1(Cc2cc3c(-c4ccc(C)cc4)cccc3[cH-]2)CCCCCC1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C27H33.C2H6Si.2ClH.Zr/c2*1-3-15-27(16-6-4-5-7-17-27)20-22-18-24-9-8-10-25(26(24)19-22)23-13-11-21(2)12-14-23;1-3-2;;;/h2*8-14,18-19H,3-7,15-17,20H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyQUEDVQMAJWDSGY-UHFFFAOYSA-L
XLogP18.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.41
LogP ≤ 518.60
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 173068361 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 173068302
CID 173068302
CID 173068228
CID 173068228
CID 173068512
CID 173068512
CID 173072823
CID 173072823
CID 87381374
CID 87381374
CID 87381225
CID 87381225
CID 173068473
CID 173068473
dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-propylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride
CID 157338860
CID 173068527
CID 173068527
CID 173068360
CID 173068360
CID 173098253
CID 173098253
dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclohexyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride
CID 158640964

Frequently Asked Questions

What is the IUPAC name of CID 173068361?
The IUPAC name of CID 173068361 (CID 173068361) is not available.
What is the SMILES notation for CID 173068361?
The canonical SMILES for CID 173068361 is CCCC1(Cc2cc3c(-c4ccc(C)cc4)cccc3[cH-]2)CCCCCC1.CCCC1(Cc2cc3c(-c4ccc(C)cc4)cccc3[cH-]2)CCCCCC1.C[Si]C.Cl[Zr+2]Cl.
What is the InChIKey of CID 173068361?
The InChIKey is QUEDVQMAJWDSGY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C27H33.C2H6Si.2ClH.Zr/c2*1-3-15-27(16-6-4-5-7-17-27)20-22-18-24-9-8-10-25(26(24)19-22)23-13-11-21(2)12-14-23;1-3-2;;;/h2*8-14,18-19H,3-7,15-17,20H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173068361?
CID 173068361 has a molecular weight of 935.41 g/mol, XLogP of 18.60, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173068361 is sourced from PubChem (CID 173068361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).