CID 170551933

C36H36Si2 — CID 170551933

IUPAC—
SMILESCc1cc(C)cc([Si](c2cc(C)cc(C)c2)C(C)c2ccccc2[Si](c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C36H36Si2/c1-26-20-27(2)23-33(22-26)37(34-24-28(3)21-29(4)25-34)30(5)35-18-12-13-19-36(35)38(31-14-8-6-9-15-31)32-16-10-7-11-17-32/h6-25,30H,1-5H3
InChIKeyLWILTUDVYAWYRD-UHFFFAOYSA-N
MW524.86 g/mol
LogP5.39
Rot. Bonds7

About CID 170551933

CID 170551933 (PubChem CID 170551933) has the molecular formula C36H36Si2 and a molecular weight of 524.86 g/mol.

Molecular Properties

Compound NameCID 170551933
PubChem CID170551933
Molecular FormulaC36H36Si2
Molecular Weight524.86 g/mol
Exact Mass524.24
IUPAC Name—
SMILESCc1cc(C)cc([Si](c2cc(C)cc(C)c2)C(C)c2ccccc2[Si](c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C36H36Si2/c1-26-20-27(2)23-33(22-26)37(34-24-28(3)21-29(4)25-34)30(5)35-18-12-13-19-36(35)38(31-14-8-6-9-15-31)32-16-10-7-11-17-32/h6-25,30H,1-5H3
InChIKeyLWILTUDVYAWYRD-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.86
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 170551933?
The IUPAC name of CID 170551933 (CID 170551933) is not available.
What is the SMILES notation for CID 170551933?
The canonical SMILES for CID 170551933 is Cc1cc(C)cc([Si](c2cc(C)cc(C)c2)C(C)c2ccccc2[Si](c2ccccc2)c2ccccc2)c1.
What is the InChIKey of CID 170551933?
The InChIKey is LWILTUDVYAWYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36Si2/c1-26-20-27(2)23-33(22-26)37(34-24-28(3)21-29(4)25-34)30(5)35-18-12-13-19-36(35)38(31-14-8-6-9-15-31)32-16-10-7-11-17-32/h6-25,30H,1-5H3.
What are the key properties of CID 170551933?
CID 170551933 has a molecular weight of 524.86 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170551933 is sourced from PubChem (CID 170551933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).