[4-[3,5-bis(trifluoromethyl)phenyl]-5-phenylcyclopenta-1,4-dien-1-yl]-dimethylsilane

C21H18F6Si — CID 152745969

IUPAC[4-[3,5-bis(trifluoromethyl)phenyl]-5-phenylcyclopenta-1,4-dien-1-yl]-dimethylsilane
SMILESC[SiH](C)C1=CCC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=C1c1ccccc1
InChIInChI=1S/C21H18F6Si/c1-28(2)18-9-8-17(19(18)13-6-4-3-5-7-13)14-10-15(20(22,23)24)12-16(11-14)21(25,26)27/h3-7,9-12,28H,8H2,1-2H3
InChIKeyZYHLPOWOYNQBSX-UHFFFAOYSA-N
MW412.45 g/mol
LogP6.99
Rot. Bonds3

About [4-[3,5-bis(trifluoromethyl)phenyl]-5-phenylcyclopenta-1,4-dien-1-yl]-dimethylsilane

[4-[3,5-bis(trifluoromethyl)phenyl]-5-phenylcyclopenta-1,4-dien-1-yl]-dimethylsilane (PubChem CID 152745969) has the molecular formula C21H18F6Si and a molecular weight of 412.45 g/mol. Its IUPAC name is [4-[3,5-bis(trifluoromethyl)phenyl]-5-phenylcyclopenta-1,4-dien-1-yl]-dimethylsilane.

Molecular Properties

Compound Name[4-[3,5-bis(trifluoromethyl)phenyl]-5-phenylcyclopenta-1,4-dien-1-yl]-dimethylsilane
PubChem CID152745969
Molecular FormulaC21H18F6Si
Molecular Weight412.45 g/mol
Exact Mass412.11
IUPAC Name[4-[3,5-bis(trifluoromethyl)phenyl]-5-phenylcyclopenta-1,4-dien-1-yl]-dimethylsilane
SMILESC[SiH](C)C1=CCC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=C1c1ccccc1
InChIInChI=1S/C21H18F6Si/c1-28(2)18-9-8-17(19(18)13-6-4-3-5-7-13)14-10-15(20(22,23)24)12-16(11-14)21(25,26)27/h3-7,9-12,28H,8H2,1-2H3
InChIKeyZYHLPOWOYNQBSX-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 56.99
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

1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
4-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-2,6-diphenylpyridin-1-ium tetrafluoroborate
CID 10578472
1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene
CID 167251693
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
1-(1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-3,5-bis(trifluoromethyl)benzene
CID 170400424
[3,5-bis(trifluoromethyl)phenyl]-dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane
CID 88592546
2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene
CID 146622594
1,3-bis[3,5-bis(trifluoromethyl)phenyl]-2-methylbenzene
CID 163637967
5,10-diphenyl-1,6-bis(2-phenylethynyl)-3,8-bis(trifluoromethyl)indeno[2,1-a]indene
CID 42611891
ethane;bis(trifluoromethylbenzene)
CID 142912000
5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 25110321
1-tert-butyl-1,3,4-triphenyl-2,5-bis[3-(trifluoromethyl)phenyl]silole
CID 18792498

Frequently Asked Questions

What is the IUPAC name of [4-[3,5-bis(trifluoromethyl)phenyl]-5-phenylcyclopenta-1,4-dien-1-yl]-dimethylsilane?
The IUPAC name of [4-[3,5-bis(trifluoromethyl)phenyl]-5-phenylcyclopenta-1,4-dien-1-yl]-dimethylsilane (CID 152745969) is [4-[3,5-bis(trifluoromethyl)phenyl]-5-phenylcyclopenta-1,4-dien-1-yl]-dimethylsilane.
What is the SMILES notation for [4-[3,5-bis(trifluoromethyl)phenyl]-5-phenylcyclopenta-1,4-dien-1-yl]-dimethylsilane?
The canonical SMILES for [4-[3,5-bis(trifluoromethyl)phenyl]-5-phenylcyclopenta-1,4-dien-1-yl]-dimethylsilane is C[SiH](C)C1=CCC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=C1c1ccccc1.
What is the InChIKey of [4-[3,5-bis(trifluoromethyl)phenyl]-5-phenylcyclopenta-1,4-dien-1-yl]-dimethylsilane?
The InChIKey is ZYHLPOWOYNQBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F6Si/c1-28(2)18-9-8-17(19(18)13-6-4-3-5-7-13)14-10-15(20(22,23)24)12-16(11-14)21(25,26)27/h3-7,9-12,28H,8H2,1-2H3.
What are the key properties of [4-[3,5-bis(trifluoromethyl)phenyl]-5-phenylcyclopenta-1,4-dien-1-yl]-dimethylsilane?
[4-[3,5-bis(trifluoromethyl)phenyl]-5-phenylcyclopenta-1,4-dien-1-yl]-dimethylsilane has a molecular weight of 412.45 g/mol, XLogP of 6.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,5-bis(trifluoromethyl)phenyl]-5-phenylcyclopenta-1,4-dien-1-yl]-dimethylsilane is sourced from PubChem (CID 152745969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).