1,1,2,2,3,3,4,4,5,5,6-undecakis-phenylhexasilinane

C66H56Si6 — CID 71366879

IUPAC1,1,2,2,3,3,4,4,5,5,6-undecakis-phenylhexasilinane
SMILESc1ccc([SiH]2[Si](c3ccccc3)(c3ccccc3)[Si](c3ccccc3)(c3ccccc3)[Si](c3ccccc3)(c3ccccc3)[Si](c3ccccc3)(c3ccccc3)[Si]2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C66H56Si6/c1-12-34-56(35-13-1)67-68(57-36-14-2-15-37-57,58-38-16-3-17-39-58)70(61-44-22-6-23-45-61,62-46-24-7-25-47-62)72(65-52-30-10-31-53-65,66-54-32-11-33-55-66)71(63-48-26-8-27-49-63,64-50-28-9-29-51-64)69(67,59-40-18-4-19-41-59)60-42-20-5-21-43-60/h1-55,67H
InChIKeyRQWRPVMZVYQECQ-UHFFFAOYSA-N
MW1017.69 g/mol
LogP6.92
Rot. Bonds11

About 1,1,2,2,3,3,4,4,5,5,6-undecakis-phenylhexasilinane

1,1,2,2,3,3,4,4,5,5,6-undecakis-phenylhexasilinane (PubChem CID 71366879) has the molecular formula C66H56Si6 and a molecular weight of 1017.69 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6-undecakis-phenylhexasilinane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6-undecakis-phenylhexasilinane
PubChem CID71366879
Molecular FormulaC66H56Si6
Molecular Weight1017.69 g/mol
Exact Mass1016.30
IUPAC Name1,1,2,2,3,3,4,4,5,5,6-undecakis-phenylhexasilinane
SMILESc1ccc([SiH]2[Si](c3ccccc3)(c3ccccc3)[Si](c3ccccc3)(c3ccccc3)[Si](c3ccccc3)(c3ccccc3)[Si](c3ccccc3)(c3ccccc3)[Si]2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C66H56Si6/c1-12-34-56(35-13-1)67-68(57-36-14-2-15-37-57,58-38-16-3-17-39-58)70(61-44-22-6-23-45-61,62-46-24-7-25-47-62)72(65-52-30-10-31-53-65,66-54-32-11-33-55-66)71(63-48-26-8-27-49-63,64-50-28-9-29-51-64)69(67,59-40-18-4-19-41-59)60-42-20-5-21-43-60/h1-55,67H
InChIKeyRQWRPVMZVYQECQ-UHFFFAOYSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.69
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6-undecakis-phenylhexasilinane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6-undecakis-phenylhexasilinane (CID 71366879) is 1,1,2,2,3,3,4,4,5,5,6-undecakis-phenylhexasilinane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6-undecakis-phenylhexasilinane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6-undecakis-phenylhexasilinane is c1ccc([SiH]2[Si](c3ccccc3)(c3ccccc3)[Si](c3ccccc3)(c3ccccc3)[Si](c3ccccc3)(c3ccccc3)[Si](c3ccccc3)(c3ccccc3)[Si]2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6-undecakis-phenylhexasilinane?
The InChIKey is RQWRPVMZVYQECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H56Si6/c1-12-34-56(35-13-1)67-68(57-36-14-2-15-37-57,58-38-16-3-17-39-58)70(61-44-22-6-23-45-61,62-46-24-7-25-47-62)72(65-52-30-10-31-53-65,66-54-32-11-33-55-66)71(63-48-26-8-27-49-63,64-50-28-9-29-51-64)69(67,59-40-18-4-19-41-59)60-42-20-5-21-43-60/h1-55,67H.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6-undecakis-phenylhexasilinane?
1,1,2,2,3,3,4,4,5,5,6-undecakis-phenylhexasilinane has a molecular weight of 1017.69 g/mol, XLogP of 6.92, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6-undecakis-phenylhexasilinane is sourced from PubChem (CID 71366879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).