CID 173178924

C56H76Cl2SiZr — CID 173178924

IUPAC—
SMILESCCCc1ccc2[cH-]c(C(C)C)cc2c1-c1cc(C(C)C)cc(C(C)C)c1.CCCc1ccc2[cH-]c(C(C)C)cc2c1-c1cc(C(C)C)cc(C(C)C)c1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C27H35.C2H6Si.2ClH.Zr/c2*1-8-9-20-10-11-21-12-24(19(6)7)16-26(21)27(20)25-14-22(17(2)3)13-23(15-25)18(4)5;1-3-2;;;/h2*10-19H,8-9H2,1-7H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyRPLDLIQLUOVWJW-UHFFFAOYSA-L
MW939.44 g/mol
LogP19.26
Rot. Bonds12

About CID 173178924

CID 173178924 (PubChem CID 173178924) has the molecular formula C56H76Cl2SiZr and a molecular weight of 939.44 g/mol.

Molecular Properties

Compound NameCID 173178924
PubChem CID173178924
Molecular FormulaC56H76Cl2SiZr
Molecular Weight939.44 g/mol
Exact Mass936.41
IUPAC Name—
SMILESCCCc1ccc2[cH-]c(C(C)C)cc2c1-c1cc(C(C)C)cc(C(C)C)c1.CCCc1ccc2[cH-]c(C(C)C)cc2c1-c1cc(C(C)C)cc(C(C)C)c1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C27H35.C2H6Si.2ClH.Zr/c2*1-8-9-20-10-11-21-12-24(19(6)7)16-26(21)27(20)25-14-22(17(2)3)13-23(15-25)18(4)5;1-3-2;;;/h2*10-19H,8-9H2,1-7H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyRPLDLIQLUOVWJW-UHFFFAOYSA-L
XLogP19.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.44
LogP ≤ 519.26
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 173178924 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 173178839
CID 173178839
CID 173178313
CID 173178313
CID 173178817
CID 173178817
dichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide
CID 87865100
dichlorozirconium;4-(2-ethylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide
CID 87883960
CID 173178114
CID 173178114
CID 173178420
CID 173178420
CID 173073018
CID 173073018
CID 173177901
CID 173177901
CID 173178343
CID 173178343
CID 173178033
CID 173178033
CID 173177876
CID 173177876

Frequently Asked Questions

What is the IUPAC name of CID 173178924?
The IUPAC name of CID 173178924 (CID 173178924) is not available.
What is the SMILES notation for CID 173178924?
The canonical SMILES for CID 173178924 is CCCc1ccc2[cH-]c(C(C)C)cc2c1-c1cc(C(C)C)cc(C(C)C)c1.CCCc1ccc2[cH-]c(C(C)C)cc2c1-c1cc(C(C)C)cc(C(C)C)c1.C[Si]C.Cl[Zr+2]Cl.
What is the InChIKey of CID 173178924?
The InChIKey is RPLDLIQLUOVWJW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C27H35.C2H6Si.2ClH.Zr/c2*1-8-9-20-10-11-21-12-24(19(6)7)16-26(21)27(20)25-14-22(17(2)3)13-23(15-25)18(4)5;1-3-2;;;/h2*10-19H,8-9H2,1-7H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173178924?
CID 173178924 has a molecular weight of 939.44 g/mol, XLogP of 19.26, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173178924 is sourced from PubChem (CID 173178924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).