2,5-bis(3-fluorophenyl)-1,1-dimethyl-3,4-diphenylsilole

C30H24F2Si — CID 54178655

IUPAC2,5-bis(3-fluorophenyl)-1,1-dimethyl-3,4-diphenylsilole
SMILESC[Si]1(C)C(c2cccc(F)c2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(F)c1
InChIInChI=1S/C30H24F2Si/c1-33(2)29(23-15-9-17-25(31)19-23)27(21-11-5-3-6-12-21)28(22-13-7-4-8-14-22)30(33)24-16-10-18-26(32)20-24/h3-20H,1-2H3
InChIKeyPAFMUHZMQZLEPL-UHFFFAOYSA-N
MW450.60 g/mol
LogP8.29
Rot. Bonds4

About 2,5-bis(3-fluorophenyl)-1,1-dimethyl-3,4-diphenylsilole

2,5-bis(3-fluorophenyl)-1,1-dimethyl-3,4-diphenylsilole (PubChem CID 54178655) has the molecular formula C30H24F2Si and a molecular weight of 450.60 g/mol. Its IUPAC name is 2,5-bis(3-fluorophenyl)-1,1-dimethyl-3,4-diphenylsilole.

Molecular Properties

Compound Name2,5-bis(3-fluorophenyl)-1,1-dimethyl-3,4-diphenylsilole
PubChem CID54178655
Molecular FormulaC30H24F2Si
Molecular Weight450.60 g/mol
Exact Mass450.16
IUPAC Name2,5-bis(3-fluorophenyl)-1,1-dimethyl-3,4-diphenylsilole
SMILESC[Si]1(C)C(c2cccc(F)c2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(F)c1
InChIInChI=1S/C30H24F2Si/c1-33(2)29(23-15-9-17-25(31)19-23)27(21-11-5-3-6-12-21)28(22-13-7-4-8-14-22)30(33)24-16-10-18-26(32)20-24/h3-20H,1-2H3
InChIKeyPAFMUHZMQZLEPL-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 58.29
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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Related Compounds

Benzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-
CID 74060
Tetraphenylethylene
CID 69437
Benzene, 1,1',1'',1'''-(1,2-propadiene-1,3-diylidene)tetrakis-
CID 74290
1,2,3,4-Tetraphenylcyclopenta-1,3-diene
CID 84991
4,4'',4'''',4''''''-Silanetetrayltetrakis(1,1'-biphenyl)
CID 76878
1,1'-Biphenyl, 4-(triphenylsilyl)-
CID 76637
2',3,4,5-Tetrafluoro-4'''-propyl-1,1':4',1'':4'',1'''-quaterphenyl
CID 57981392
Diphenyldi(O-tolyl)silane
CID 3522575
1,2,3,4-Tetraphenyl-1,3-butadiene
CID 5377766
Tetraphenylbutatriene
CID 328357
4,4''-(Diphenylsilylene)bis(1,1'-biphenyl)
CID 76636
Tris(phenethyl)silane
CID 4625041

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-fluorophenyl)-1,1-dimethyl-3,4-diphenylsilole?
The IUPAC name of 2,5-bis(3-fluorophenyl)-1,1-dimethyl-3,4-diphenylsilole (CID 54178655) is 2,5-bis(3-fluorophenyl)-1,1-dimethyl-3,4-diphenylsilole.
What is the SMILES notation for 2,5-bis(3-fluorophenyl)-1,1-dimethyl-3,4-diphenylsilole?
The canonical SMILES for 2,5-bis(3-fluorophenyl)-1,1-dimethyl-3,4-diphenylsilole is C[Si]1(C)C(c2cccc(F)c2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(F)c1.
What is the InChIKey of 2,5-bis(3-fluorophenyl)-1,1-dimethyl-3,4-diphenylsilole?
The InChIKey is PAFMUHZMQZLEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F2Si/c1-33(2)29(23-15-9-17-25(31)19-23)27(21-11-5-3-6-12-21)28(22-13-7-4-8-14-22)30(33)24-16-10-18-26(32)20-24/h3-20H,1-2H3.
What are the key properties of 2,5-bis(3-fluorophenyl)-1,1-dimethyl-3,4-diphenylsilole?
2,5-bis(3-fluorophenyl)-1,1-dimethyl-3,4-diphenylsilole has a molecular weight of 450.60 g/mol, XLogP of 8.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-fluorophenyl)-1,1-dimethyl-3,4-diphenylsilole is sourced from PubChem (CID 54178655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).