CID 173178358

C64H84Cl2Si5Zr — CID 173178358

IUPAC—
SMILESCCCCc1cc2c(-c3cc([Si](C)(C)C)cc([Si](C)(C)C)c3)c(-c3ccccc3)ccc2[cH-]1.CCCCc1cc2c(-c3cc([Si](C)(C)C)cc([Si](C)(C)C)c3)c(-c3ccccc3)ccc2[cH-]1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C31H39Si2.C2H6Si.2ClH.Zr/c2*1-8-9-13-23-18-25-16-17-29(24-14-11-10-12-15-24)31(30(25)19-23)26-20-27(32(2,3)4)22-28(21-26)33(5,6)7;1-3-2;;;/h2*10-12,14-22H,8-9,13H2,1-7H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyQTBBNBIHLZDSCV-UHFFFAOYSA-L
MW1155.94 g/mol
LogP18.81
Rot. Bonds14

About CID 173178358

CID 173178358 (PubChem CID 173178358) has the molecular formula C64H84Cl2Si5Zr and a molecular weight of 1155.94 g/mol.

Molecular Properties

Compound NameCID 173178358
PubChem CID173178358
Molecular FormulaC64H84Cl2Si5Zr
Molecular Weight1155.94 g/mol
Exact Mass1152.38
IUPAC Name—
SMILESCCCCc1cc2c(-c3cc([Si](C)(C)C)cc([Si](C)(C)C)c3)c(-c3ccccc3)ccc2[cH-]1.CCCCc1cc2c(-c3cc([Si](C)(C)C)cc([Si](C)(C)C)c3)c(-c3ccccc3)ccc2[cH-]1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C31H39Si2.C2H6Si.2ClH.Zr/c2*1-8-9-13-23-18-25-16-17-29(24-14-11-10-12-15-24)31(30(25)19-23)26-20-27(32(2,3)4)22-28(21-26)33(5,6)7;1-3-2;;;/h2*10-12,14-22H,8-9,13H2,1-7H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyQTBBNBIHLZDSCV-UHFFFAOYSA-L
XLogP18.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001155.94
LogP ≤ 518.81
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 173178358 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 173177906
CID 173177906
CID 173177988
CID 173177988
CID 173178337
CID 173178337
CID 173016283
CID 173016283
CID 173192486
CID 173192486
CID 173178281
CID 173178281
CID 173178397
CID 173178397
CID 173177810
CID 173177810
CID 173178124
CID 173178124
CID 173178114
CID 173178114
CID 173178161
CID 173178161
CID 173192644
CID 173192644

Frequently Asked Questions

What is the IUPAC name of CID 173178358?
The IUPAC name of CID 173178358 (CID 173178358) is not available.
What is the SMILES notation for CID 173178358?
The canonical SMILES for CID 173178358 is CCCCc1cc2c(-c3cc([Si](C)(C)C)cc([Si](C)(C)C)c3)c(-c3ccccc3)ccc2[cH-]1.CCCCc1cc2c(-c3cc([Si](C)(C)C)cc([Si](C)(C)C)c3)c(-c3ccccc3)ccc2[cH-]1.C[Si]C.Cl[Zr+2]Cl.
What is the InChIKey of CID 173178358?
The InChIKey is QTBBNBIHLZDSCV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C31H39Si2.C2H6Si.2ClH.Zr/c2*1-8-9-13-23-18-25-16-17-29(24-14-11-10-12-15-24)31(30(25)19-23)26-20-27(32(2,3)4)22-28(21-26)33(5,6)7;1-3-2;;;/h2*10-12,14-22H,8-9,13H2,1-7H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173178358?
CID 173178358 has a molecular weight of 1155.94 g/mol, XLogP of 18.81, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173178358 is sourced from PubChem (CID 173178358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).