trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-phenylethynyl)phenyl]-3,4-bis(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane

C27H32F4Si3 — CID 101470711

IUPACtrimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-phenylethynyl)phenyl]-3,4-bis(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane
SMILESC[Si](C)(C)C12C3(c4c(F)c(F)c(C#Cc5ccccc5)c(F)c4F)C1([Si](C)(C)C)C32[Si](C)(C)C
InChIInChI=1S/C27H32F4Si3/c1-32(2,3)25-24(26(25,33(4,5)6)27(24,25)34(7,8)9)19-22(30)20(28)18(21(29)23(19)31)16-15-17-13-11-10-12-14-17/h10-14H,1-9H3
InChIKeyYDELJRZPLWHRDU-UHFFFAOYSA-N
MW516.80 g/mol
LogP8.16
Rot. Bonds4

About trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-phenylethynyl)phenyl]-3,4-bis(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane

trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-phenylethynyl)phenyl]-3,4-bis(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane (PubChem CID 101470711) has the molecular formula C27H32F4Si3 and a molecular weight of 516.80 g/mol. Its IUPAC name is trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-phenylethynyl)phenyl]-3,4-bis(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-phenylethynyl)phenyl]-3,4-bis(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane
PubChem CID101470711
Molecular FormulaC27H32F4Si3
Molecular Weight516.80 g/mol
Exact Mass516.17
IUPAC Nametrimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-phenylethynyl)phenyl]-3,4-bis(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane
SMILESC[Si](C)(C)C12C3(c4c(F)c(F)c(C#Cc5ccccc5)c(F)c4F)C1([Si](C)(C)C)C32[Si](C)(C)C
InChIInChI=1S/C27H32F4Si3/c1-32(2,3)25-24(26(25,33(4,5)6)27(24,25)34(7,8)9)19-22(30)20(28)18(21(29)23(19)31)16-15-17-13-11-10-12-14-17/h10-14H,1-9H3
InChIKeyYDELJRZPLWHRDU-UHFFFAOYSA-N
XLogP8.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.80
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-phenylethynyl)phenyl]-3,4-bis(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,5-trifluoro-2,4,6-tris(2-phenylethynyl)benzene
CID 71374842
1,2-difluoro-3,4,5,6-tetrakis(2-phenylethynyl)benzene
CID 102591914
1,2,3,4,5,6,7,8-octafluoronaphthalene;2-phenylethynylbenzene
CID 139058258
2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane;nickel;1,2,3,4,5-pentafluoro-6-(2-phenylethynyl)benzene
CID 139252905
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
1,4-dimethyl-2,3,5,6-tetrakis(2-phenylethynyl)benzene
CID 21461448
1,2,4,6,8,9-hexafluoro-5,5-diphenyl-3,7-bis(2-phenylethynyl)benzo[b][1]benzosilole
CID 25194399
1,3,5-tris[2-(2,6-dimethylphenyl)ethynyl]-2,4,6-tris(2-phenylethynyl)benzene
CID 101246235
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
2-phenylethynylbenzene;hydrofluoride
CID 158259923
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-(2-phenylethynyl)azulene
CID 139039957

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-phenylethynyl)phenyl]-3,4-bis(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane?
The IUPAC name of trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-phenylethynyl)phenyl]-3,4-bis(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane (CID 101470711) is trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-phenylethynyl)phenyl]-3,4-bis(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane.
What is the SMILES notation for trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-phenylethynyl)phenyl]-3,4-bis(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane?
The canonical SMILES for trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-phenylethynyl)phenyl]-3,4-bis(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane is C[Si](C)(C)C12C3(c4c(F)c(F)c(C#Cc5ccccc5)c(F)c4F)C1([Si](C)(C)C)C32[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-phenylethynyl)phenyl]-3,4-bis(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane?
The InChIKey is YDELJRZPLWHRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F4Si3/c1-32(2,3)25-24(26(25,33(4,5)6)27(24,25)34(7,8)9)19-22(30)20(28)18(21(29)23(19)31)16-15-17-13-11-10-12-14-17/h10-14H,1-9H3.
What are the key properties of trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-phenylethynyl)phenyl]-3,4-bis(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane?
trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-phenylethynyl)phenyl]-3,4-bis(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane has a molecular weight of 516.80 g/mol, XLogP of 8.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-phenylethynyl)phenyl]-3,4-bis(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane is sourced from PubChem (CID 101470711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).