1-tert-butyl-1,3,4-triphenyl-2,5-bis[2-(trifluoromethyl)phenyl]silole

C40H32F6Si — CID 18792369

IUPAC1-tert-butyl-1,3,4-triphenyl-2,5-bis[2-(trifluoromethyl)phenyl]silole
SMILESCC(C)(C)[Si]1(c2ccccc2)C(c2ccccc2C(F)(F)F)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1C(F)(F)F
InChIInChI=1S/C40H32F6Si/c1-38(2,3)47(29-21-11-6-12-22-29)36(30-23-13-15-25-32(30)39(41,42)43)34(27-17-7-4-8-18-27)35(28-19-9-5-10-20-28)37(47)31-24-14-16-26-33(31)40(44,45)46/h4-26H,1-3H3
InChIKeyVWMVRGLFAOBUSA-UHFFFAOYSA-N
MW654.77 g/mol
LogP11.49
Rot. Bonds5

About 1-tert-butyl-1,3,4-triphenyl-2,5-bis[2-(trifluoromethyl)phenyl]silole

1-tert-butyl-1,3,4-triphenyl-2,5-bis[2-(trifluoromethyl)phenyl]silole (PubChem CID 18792369) has the molecular formula C40H32F6Si and a molecular weight of 654.77 g/mol. Its IUPAC name is 1-tert-butyl-1,3,4-triphenyl-2,5-bis[2-(trifluoromethyl)phenyl]silole.

Molecular Properties

Compound Name1-tert-butyl-1,3,4-triphenyl-2,5-bis[2-(trifluoromethyl)phenyl]silole
PubChem CID18792369
Molecular FormulaC40H32F6Si
Molecular Weight654.77 g/mol
Exact Mass654.22
IUPAC Name1-tert-butyl-1,3,4-triphenyl-2,5-bis[2-(trifluoromethyl)phenyl]silole
SMILESCC(C)(C)[Si]1(c2ccccc2)C(c2ccccc2C(F)(F)F)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1C(F)(F)F
InChIInChI=1S/C40H32F6Si/c1-38(2,3)47(29-21-11-6-12-22-29)36(30-23-13-15-25-32(30)39(41,42)43)34(27-17-7-4-8-18-27)35(28-19-9-5-10-20-28)37(47)31-24-14-16-26-33(31)40(44,45)46/h4-26H,1-3H3
InChIKeyVWMVRGLFAOBUSA-UHFFFAOYSA-N
XLogP11.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.77
LogP ≤ 511.49
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 1-tert-butyl-1,3,4-triphenyl-2,5-bis[2-(trifluoromethyl)phenyl]silole?
The IUPAC name of 1-tert-butyl-1,3,4-triphenyl-2,5-bis[2-(trifluoromethyl)phenyl]silole (CID 18792369) is 1-tert-butyl-1,3,4-triphenyl-2,5-bis[2-(trifluoromethyl)phenyl]silole.
What is the SMILES notation for 1-tert-butyl-1,3,4-triphenyl-2,5-bis[2-(trifluoromethyl)phenyl]silole?
The canonical SMILES for 1-tert-butyl-1,3,4-triphenyl-2,5-bis[2-(trifluoromethyl)phenyl]silole is CC(C)(C)[Si]1(c2ccccc2)C(c2ccccc2C(F)(F)F)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1C(F)(F)F.
What is the InChIKey of 1-tert-butyl-1,3,4-triphenyl-2,5-bis[2-(trifluoromethyl)phenyl]silole?
The InChIKey is VWMVRGLFAOBUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32F6Si/c1-38(2,3)47(29-21-11-6-12-22-29)36(30-23-13-15-25-32(30)39(41,42)43)34(27-17-7-4-8-18-27)35(28-19-9-5-10-20-28)37(47)31-24-14-16-26-33(31)40(44,45)46/h4-26H,1-3H3.
What are the key properties of 1-tert-butyl-1,3,4-triphenyl-2,5-bis[2-(trifluoromethyl)phenyl]silole?
1-tert-butyl-1,3,4-triphenyl-2,5-bis[2-(trifluoromethyl)phenyl]silole has a molecular weight of 654.77 g/mol, XLogP of 11.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1,3,4-triphenyl-2,5-bis[2-(trifluoromethyl)phenyl]silole is sourced from PubChem (CID 18792369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).