CID 173178124

C58H88Cl2Si5Zr — CID 173178124

IUPAC—
SMILESCC(C)Cc1cc2c(-c3cc([Si](C)(C)C)cc([Si](C)(C)C)c3)c(C(C)C)ccc2[cH-]1.CC(C)Cc1cc2c(-c3cc([Si](C)(C)C)cc([Si](C)(C)C)c3)c(C(C)C)ccc2[cH-]1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C28H41Si2.C2H6Si.2ClH.Zr/c2*1-19(2)13-21-14-22-11-12-26(20(3)4)28(27(22)15-21)23-16-24(29(5,6)7)18-25(17-23)30(8,9)10;1-3-2;;;/h2*11-12,14-20H,13H2,1-10H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyZGSGXQDIJGHEIN-UHFFFAOYSA-L
MW1087.90 g/mol
LogP17.44
Rot. Bonds12

About CID 173178124

CID 173178124 (PubChem CID 173178124) has the molecular formula C58H88Cl2Si5Zr and a molecular weight of 1087.90 g/mol.

Molecular Properties

Compound NameCID 173178124
PubChem CID173178124
Molecular FormulaC58H88Cl2Si5Zr
Molecular Weight1087.90 g/mol
Exact Mass1084.42
IUPAC Name—
SMILESCC(C)Cc1cc2c(-c3cc([Si](C)(C)C)cc([Si](C)(C)C)c3)c(C(C)C)ccc2[cH-]1.CC(C)Cc1cc2c(-c3cc([Si](C)(C)C)cc([Si](C)(C)C)c3)c(C(C)C)ccc2[cH-]1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C28H41Si2.C2H6Si.2ClH.Zr/c2*1-19(2)13-21-14-22-11-12-26(20(3)4)28(27(22)15-21)23-16-24(29(5,6)7)18-25(17-23)30(8,9)10;1-3-2;;;/h2*11-12,14-20H,13H2,1-10H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyZGSGXQDIJGHEIN-UHFFFAOYSA-L
XLogP17.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001087.90
LogP ≤ 517.44
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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Frequently Asked Questions

What is the IUPAC name of CID 173178124?
The IUPAC name of CID 173178124 (CID 173178124) is not available.
What is the SMILES notation for CID 173178124?
The canonical SMILES for CID 173178124 is CC(C)Cc1cc2c(-c3cc([Si](C)(C)C)cc([Si](C)(C)C)c3)c(C(C)C)ccc2[cH-]1.CC(C)Cc1cc2c(-c3cc([Si](C)(C)C)cc([Si](C)(C)C)c3)c(C(C)C)ccc2[cH-]1.C[Si]C.Cl[Zr+2]Cl.
What is the InChIKey of CID 173178124?
The InChIKey is ZGSGXQDIJGHEIN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C28H41Si2.C2H6Si.2ClH.Zr/c2*1-19(2)13-21-14-22-11-12-26(20(3)4)28(27(22)15-21)23-16-24(29(5,6)7)18-25(17-23)30(8,9)10;1-3-2;;;/h2*11-12,14-20H,13H2,1-10H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173178124?
CID 173178124 has a molecular weight of 1087.90 g/mol, XLogP of 17.44, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173178124 is sourced from PubChem (CID 173178124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).