(2,7-dibromo-9H-fluoren-9-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane

C26H21Br2F3Si — CID 67039742

IUPAC(2,7-dibromo-9H-fluoren-9-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane
SMILESCC1=Cc2c(cccc2C(F)(F)F)C1[Si](C)(C)C1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C26H21Br2F3Si/c1-14-11-20-19(5-4-6-23(20)26(29,30)31)24(14)32(2,3)25-21-12-15(27)7-9-17(21)18-10-8-16(28)13-22(18)25/h4-13,24-25H,1-3H3
InChIKeyWVSPLVCGMDEQTP-UHFFFAOYSA-N
MW578.34 g/mol
LogP9.33
Rot. Bonds2

About (2,7-dibromo-9H-fluoren-9-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane

(2,7-dibromo-9H-fluoren-9-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane (PubChem CID 67039742) has the molecular formula C26H21Br2F3Si and a molecular weight of 578.34 g/mol. Its IUPAC name is (2,7-dibromo-9H-fluoren-9-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane.

Molecular Properties

Compound Name(2,7-dibromo-9H-fluoren-9-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane
PubChem CID67039742
Molecular FormulaC26H21Br2F3Si
Molecular Weight578.34 g/mol
Exact Mass575.97
IUPAC Name(2,7-dibromo-9H-fluoren-9-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane
SMILESCC1=Cc2c(cccc2C(F)(F)F)C1[Si](C)(C)C1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C26H21Br2F3Si/c1-14-11-20-19(5-4-6-23(20)26(29,30)31)24(14)32(2,3)25-21-12-15(27)7-9-17(21)18-10-8-16(28)13-22(18)25/h4-13,24-25H,1-3H3
InChIKeyWVSPLVCGMDEQTP-UHFFFAOYSA-N
XLogP9.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.34
LogP ≤ 59.33
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 (2,7-dibromo-9H-fluoren-9-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane?
The IUPAC name of (2,7-dibromo-9H-fluoren-9-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane (CID 67039742) is (2,7-dibromo-9H-fluoren-9-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane.
What is the SMILES notation for (2,7-dibromo-9H-fluoren-9-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane?
The canonical SMILES for (2,7-dibromo-9H-fluoren-9-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane is CC1=Cc2c(cccc2C(F)(F)F)C1[Si](C)(C)C1c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of (2,7-dibromo-9H-fluoren-9-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane?
The InChIKey is WVSPLVCGMDEQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Br2F3Si/c1-14-11-20-19(5-4-6-23(20)26(29,30)31)24(14)32(2,3)25-21-12-15(27)7-9-17(21)18-10-8-16(28)13-22(18)25/h4-13,24-25H,1-3H3.
What are the key properties of (2,7-dibromo-9H-fluoren-9-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane?
(2,7-dibromo-9H-fluoren-9-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane has a molecular weight of 578.34 g/mol, XLogP of 9.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dibromo-9H-fluoren-9-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane is sourced from PubChem (CID 67039742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).