bis[4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-inden-1-yl]-dimethylsilane

C38H28F12Si — CID 12009760

IUPACbis[4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-inden-1-yl]-dimethylsilane
SMILESCC1=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc2C1[Si](C)(C)C1C(C)=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc21
InChIInChI=1S/C38H28F12Si/c1-19-11-31-27(21-13-23(35(39,40)41)17-24(14-21)36(42,43)44)7-5-9-29(31)33(19)51(3,4)34-20(2)12-32-28(8-6-10-30(32)34)22-15-25(37(45,46)47)18-26(16-22)38(48,49)50/h5-18,33-34H,1-4H3
InChIKeyNPTQYWYVGGVVFM-UHFFFAOYSA-N
MW740.70 g/mol
LogP13.58
Rot. Bonds4

About bis[4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-inden-1-yl]-dimethylsilane

bis[4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-inden-1-yl]-dimethylsilane (PubChem CID 12009760) has the molecular formula C38H28F12Si and a molecular weight of 740.70 g/mol. Its IUPAC name is bis[4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-inden-1-yl]-dimethylsilane
PubChem CID12009760
Molecular FormulaC38H28F12Si
Molecular Weight740.70 g/mol
Exact Mass740.18
IUPAC Namebis[4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-inden-1-yl]-dimethylsilane
SMILESCC1=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc2C1[Si](C)(C)C1C(C)=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc21
InChIInChI=1S/C38H28F12Si/c1-19-11-31-27(21-13-23(35(39,40)41)17-24(14-21)36(42,43)44)7-5-9-29(31)33(19)51(3,4)34-20(2)12-32-28(8-6-10-30(32)34)22-15-25(37(45,46)47)18-26(16-22)38(48,49)50/h5-18,33-34H,1-4H3
InChIKeyNPTQYWYVGGVVFM-UHFFFAOYSA-N
XLogP13.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.70
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-inden-1-yl]-dimethylsilane?
The IUPAC name of bis[4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-inden-1-yl]-dimethylsilane (CID 12009760) is bis[4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for bis[4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-inden-1-yl]-dimethylsilane?
The canonical SMILES for bis[4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-inden-1-yl]-dimethylsilane is CC1=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc2C1[Si](C)(C)C1C(C)=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc21.
What is the InChIKey of bis[4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-inden-1-yl]-dimethylsilane?
The InChIKey is NPTQYWYVGGVVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28F12Si/c1-19-11-31-27(21-13-23(35(39,40)41)17-24(14-21)36(42,43)44)7-5-9-29(31)33(19)51(3,4)34-20(2)12-32-28(8-6-10-30(32)34)22-15-25(37(45,46)47)18-26(16-22)38(48,49)50/h5-18,33-34H,1-4H3.
What are the key properties of bis[4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-inden-1-yl]-dimethylsilane?
bis[4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-inden-1-yl]-dimethylsilane has a molecular weight of 740.70 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 12009760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).