2,4-bis[2,6-di(propan-2-yl)phenyl]-1,1,3,5-tetraphenylsilole

C52H54Si — CID 11988814

IUPAC2,4-bis[2,6-di(propan-2-yl)phenyl]-1,1,3,5-tetraphenylsilole
SMILESCC(C)c1cccc(C(C)C)c1C1=C(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)C(c2c(C(C)C)cccc2C(C)C)=C1c1ccccc1
InChIInChI=1S/C52H54Si/c1-35(2)43-31-21-32-44(36(3)4)48(43)50-47(39-23-13-9-14-24-39)52(49-45(37(5)6)33-22-34-46(49)38(7)8)53(41-27-17-11-18-28-41,42-29-19-12-20-30-42)51(50)40-25-15-10-16-26-40/h9-38H,1-8H3
InChIKeyVKSUVHBPZYUJJX-UHFFFAOYSA-N
MW707.09 g/mol
LogP13.06
Rot. Bonds10

About 2,4-bis[2,6-di(propan-2-yl)phenyl]-1,1,3,5-tetraphenylsilole

2,4-bis[2,6-di(propan-2-yl)phenyl]-1,1,3,5-tetraphenylsilole (PubChem CID 11988814) has the molecular formula C52H54Si and a molecular weight of 707.09 g/mol. Its IUPAC name is 2,4-bis[2,6-di(propan-2-yl)phenyl]-1,1,3,5-tetraphenylsilole.

Molecular Properties

Compound Name2,4-bis[2,6-di(propan-2-yl)phenyl]-1,1,3,5-tetraphenylsilole
PubChem CID11988814
Molecular FormulaC52H54Si
Molecular Weight707.09 g/mol
Exact Mass706.40
IUPAC Name2,4-bis[2,6-di(propan-2-yl)phenyl]-1,1,3,5-tetraphenylsilole
SMILESCC(C)c1cccc(C(C)C)c1C1=C(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)C(c2c(C(C)C)cccc2C(C)C)=C1c1ccccc1
InChIInChI=1S/C52H54Si/c1-35(2)43-31-21-32-44(36(3)4)48(43)50-47(39-23-13-9-14-24-39)52(49-45(37(5)6)33-22-34-46(49)38(7)8)53(41-27-17-11-18-28-41,42-29-19-12-20-30-42)51(50)40-25-15-10-16-26-40/h9-38H,1-8H3
InChIKeyVKSUVHBPZYUJJX-UHFFFAOYSA-N
XLogP13.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.09
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[2,6-di(propan-2-yl)phenyl]-1,1,3,5-tetraphenylsilole?
The IUPAC name of 2,4-bis[2,6-di(propan-2-yl)phenyl]-1,1,3,5-tetraphenylsilole (CID 11988814) is 2,4-bis[2,6-di(propan-2-yl)phenyl]-1,1,3,5-tetraphenylsilole.
What is the SMILES notation for 2,4-bis[2,6-di(propan-2-yl)phenyl]-1,1,3,5-tetraphenylsilole?
The canonical SMILES for 2,4-bis[2,6-di(propan-2-yl)phenyl]-1,1,3,5-tetraphenylsilole is CC(C)c1cccc(C(C)C)c1C1=C(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)C(c2c(C(C)C)cccc2C(C)C)=C1c1ccccc1.
What is the InChIKey of 2,4-bis[2,6-di(propan-2-yl)phenyl]-1,1,3,5-tetraphenylsilole?
The InChIKey is VKSUVHBPZYUJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H54Si/c1-35(2)43-31-21-32-44(36(3)4)48(43)50-47(39-23-13-9-14-24-39)52(49-45(37(5)6)33-22-34-46(49)38(7)8)53(41-27-17-11-18-28-41,42-29-19-12-20-30-42)51(50)40-25-15-10-16-26-40/h9-38H,1-8H3.
What are the key properties of 2,4-bis[2,6-di(propan-2-yl)phenyl]-1,1,3,5-tetraphenylsilole?
2,4-bis[2,6-di(propan-2-yl)phenyl]-1,1,3,5-tetraphenylsilole has a molecular weight of 707.09 g/mol, XLogP of 13.06, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[2,6-di(propan-2-yl)phenyl]-1,1,3,5-tetraphenylsilole is sourced from PubChem (CID 11988814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).