dimethyl-bis[5-methyl-2-(5-methylfuran-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-yl]silane

C46H38F6O2Si — CID 87381283

IUPACdimethyl-bis[5-methyl-2-(5-methylfuran-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-yl]silane
SMILESCc1ccc(C2=Cc3c(ccc(C)c3-c3ccc(C(F)(F)F)cc3)C2[Si](C)(C)C2C(c3ccc(C)o3)=Cc3c2ccc(C)c3-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C46H38F6O2Si/c1-25-7-19-33-35(41(25)29-11-15-31(16-12-29)45(47,48)49)23-37(39-21-9-27(3)53-39)43(33)55(5,6)44-34-20-8-26(2)42(30-13-17-32(18-14-30)46(50,51)52)36(34)24-38(44)40-22-10-28(4)54-40/h7-24,43-44H,1-6H3
InChIKeyFUWAVJKWTHKRGG-UHFFFAOYSA-N
MW764.88 g/mol
LogP14.24
Rot. Bonds6

About dimethyl-bis[5-methyl-2-(5-methylfuran-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-yl]silane

dimethyl-bis[5-methyl-2-(5-methylfuran-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-yl]silane (PubChem CID 87381283) has the molecular formula C46H38F6O2Si and a molecular weight of 764.88 g/mol. Its IUPAC name is dimethyl-bis[5-methyl-2-(5-methylfuran-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-yl]silane.

Molecular Properties

Compound Namedimethyl-bis[5-methyl-2-(5-methylfuran-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-yl]silane
PubChem CID87381283
Molecular FormulaC46H38F6O2Si
Molecular Weight764.88 g/mol
Exact Mass764.25
IUPAC Namedimethyl-bis[5-methyl-2-(5-methylfuran-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-yl]silane
SMILESCc1ccc(C2=Cc3c(ccc(C)c3-c3ccc(C(F)(F)F)cc3)C2[Si](C)(C)C2C(c3ccc(C)o3)=Cc3c2ccc(C)c3-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C46H38F6O2Si/c1-25-7-19-33-35(41(25)29-11-15-31(16-12-29)45(47,48)49)23-37(39-21-9-27(3)53-39)43(33)55(5,6)44-34-20-8-26(2)42(30-13-17-32(18-14-30)46(50,51)52)36(34)24-38(44)40-22-10-28(4)54-40/h7-24,43-44H,1-6H3
InChIKeyFUWAVJKWTHKRGG-UHFFFAOYSA-N
XLogP14.24
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.88
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 dimethyl-bis[5-methyl-2-(5-methylfuran-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-yl]silane?
The IUPAC name of dimethyl-bis[5-methyl-2-(5-methylfuran-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-yl]silane (CID 87381283) is dimethyl-bis[5-methyl-2-(5-methylfuran-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-yl]silane.
What is the SMILES notation for dimethyl-bis[5-methyl-2-(5-methylfuran-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-yl]silane?
The canonical SMILES for dimethyl-bis[5-methyl-2-(5-methylfuran-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-yl]silane is Cc1ccc(C2=Cc3c(ccc(C)c3-c3ccc(C(F)(F)F)cc3)C2[Si](C)(C)C2C(c3ccc(C)o3)=Cc3c2ccc(C)c3-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of dimethyl-bis[5-methyl-2-(5-methylfuran-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-yl]silane?
The InChIKey is FUWAVJKWTHKRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38F6O2Si/c1-25-7-19-33-35(41(25)29-11-15-31(16-12-29)45(47,48)49)23-37(39-21-9-27(3)53-39)43(33)55(5,6)44-34-20-8-26(2)42(30-13-17-32(18-14-30)46(50,51)52)36(34)24-38(44)40-22-10-28(4)54-40/h7-24,43-44H,1-6H3.
What are the key properties of dimethyl-bis[5-methyl-2-(5-methylfuran-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-yl]silane?
dimethyl-bis[5-methyl-2-(5-methylfuran-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-yl]silane has a molecular weight of 764.88 g/mol, XLogP of 14.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis[5-methyl-2-(5-methylfuran-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-inden-1-yl]silane is sourced from PubChem (CID 87381283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).