CID 173178182

C48H60Cl2SiZr — CID 173178182

IUPAC—
SMILESCCCc1cc2c(-c3ccccc3CC)c(CCC)ccc2[cH-]1.CCCc1cc2c(-c3ccccc3CC)c(CCC)ccc2[cH-]1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C23H27.C2H6Si.2ClH.Zr/c2*1-4-9-17-15-20-14-13-19(10-5-2)23(22(20)16-17)21-12-8-7-11-18(21)6-3;1-3-2;;;/h2*7-8,11-16H,4-6,9-10H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyDORKLFRLQPKLGJ-UHFFFAOYSA-L
MW827.22 g/mol
LogP15.55
Rot. Bonds12

About CID 173178182

CID 173178182 (PubChem CID 173178182) has the molecular formula C48H60Cl2SiZr and a molecular weight of 827.22 g/mol.

Molecular Properties

Compound NameCID 173178182
PubChem CID173178182
Molecular FormulaC48H60Cl2SiZr
Molecular Weight827.22 g/mol
Exact Mass824.29
IUPAC Name—
SMILESCCCc1cc2c(-c3ccccc3CC)c(CCC)ccc2[cH-]1.CCCc1cc2c(-c3ccccc3CC)c(CCC)ccc2[cH-]1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C23H27.C2H6Si.2ClH.Zr/c2*1-4-9-17-15-20-14-13-19(10-5-2)23(22(20)16-17)21-12-8-7-11-18(21)6-3;1-3-2;;;/h2*7-8,11-16H,4-6,9-10H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyDORKLFRLQPKLGJ-UHFFFAOYSA-L
XLogP15.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.22
LogP ≤ 515.55
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'}

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Related Compounds

CID 173178397
CID 173178397
CID 173177810
CID 173177810
dichlorozirconium;4-(2-ethylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide
CID 87883960
CID 173178223
CID 173178223
CID 173178337
CID 173178337
dichlorozirconium;5-ethyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide
CID 87884069
CID 87866725
CID 87866725
CID 173192432
CID 173192432
CID 173190065
CID 173190065
CID 173178839
CID 173178839
CID 173072823
CID 173072823
CID 173178428
CID 173178428

Frequently Asked Questions

What is the IUPAC name of CID 173178182?
The IUPAC name of CID 173178182 (CID 173178182) is not available.
What is the SMILES notation for CID 173178182?
The canonical SMILES for CID 173178182 is CCCc1cc2c(-c3ccccc3CC)c(CCC)ccc2[cH-]1.CCCc1cc2c(-c3ccccc3CC)c(CCC)ccc2[cH-]1.C[Si]C.Cl[Zr+2]Cl.
What is the InChIKey of CID 173178182?
The InChIKey is DORKLFRLQPKLGJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C23H27.C2H6Si.2ClH.Zr/c2*1-4-9-17-15-20-14-13-19(10-5-2)23(22(20)16-17)21-12-8-7-11-18(21)6-3;1-3-2;;;/h2*7-8,11-16H,4-6,9-10H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173178182?
CID 173178182 has a molecular weight of 827.22 g/mol, XLogP of 15.55, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173178182 is sourced from PubChem (CID 173178182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).