tert-butyl-[2-[(7R)-2-[(7R)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane;copper;trifluoromethanesulfonic acid

C35H57CuF3N2O5SSi2 — CID 11814740

IUPACtert-butyl-[2-[(7R)-2-[(7R)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane;copper;trifluoromethanesulfonic acid
SMILESCC(C)(O[Si](C)(C)C(C)(C)C)[C@@H]1CCc2ccc(-c3ccc4c(n3)[C@H](C(C)(C)O[Si](C)(C)C(C)(C)C)CC4)nc21.O=S(=O)(O)C(F)(F)F.[Cu]
InChIInChI=1S/C34H56N2O2Si2.CHF3O3S.Cu/c1-31(2,3)39(11,12)37-33(7,8)25-19-15-23-17-21-27(35-29(23)25)28-22-18-24-16-20-26(30(24)36-28)34(9,10)38-40(13,14)32(4,5)6;2-1(3,4)8(5,6)7;/h17-18,21-22,25-26H,15-16,19-20H2,1-14H3;(H,5,6,7);/t25-,26-;;/m1../s1
InChIKeyAAQAOVISUCCCHG-KUSCCAPHSA-N
MW794.63 g/mol
LogP10.20
Rot. Bonds7

About tert-butyl-[2-[(7R)-2-[(7R)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane;copper;trifluoromethanesulfonic acid

tert-butyl-[2-[(7R)-2-[(7R)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane;copper;trifluoromethanesulfonic acid (PubChem CID 11814740) has the molecular formula C35H57CuF3N2O5SSi2 and a molecular weight of 794.63 g/mol. Its IUPAC name is tert-butyl-[2-[(7R)-2-[(7R)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane;copper;trifluoromethanesulfonic acid.

Molecular Properties

Compound Nametert-butyl-[2-[(7R)-2-[(7R)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane;copper;trifluoromethanesulfonic acid
PubChem CID11814740
Molecular FormulaC35H57CuF3N2O5SSi2
Molecular Weight794.63 g/mol
Exact Mass793.28
IUPAC Nametert-butyl-[2-[(7R)-2-[(7R)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane;copper;trifluoromethanesulfonic acid
SMILESCC(C)(O[Si](C)(C)C(C)(C)C)[C@@H]1CCc2ccc(-c3ccc4c(n3)[C@H](C(C)(C)O[Si](C)(C)C(C)(C)C)CC4)nc21.O=S(=O)(O)C(F)(F)F.[Cu]
InChIInChI=1S/C34H56N2O2Si2.CHF3O3S.Cu/c1-31(2,3)39(11,12)37-33(7,8)25-19-15-23-17-21-27(35-29(23)25)28-22-18-24-16-20-26(30(24)36-28)34(9,10)38-40(13,14)32(4,5)6;2-1(3,4)8(5,6)7;/h17-18,21-22,25-26H,15-16,19-20H2,1-14H3;(H,5,6,7);/t25-,26-;;/m1../s1
InChIKeyAAQAOVISUCCCHG-KUSCCAPHSA-N
XLogP10.20
TPSA98.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.63
LogP ≤ 510.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(7R)-2-[(7R)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane;copper;trifluoromethanesulfonic acid?
The IUPAC name of tert-butyl-[2-[(7R)-2-[(7R)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane;copper;trifluoromethanesulfonic acid (CID 11814740) is tert-butyl-[2-[(7R)-2-[(7R)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane;copper;trifluoromethanesulfonic acid.
What is the SMILES notation for tert-butyl-[2-[(7R)-2-[(7R)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane;copper;trifluoromethanesulfonic acid?
The canonical SMILES for tert-butyl-[2-[(7R)-2-[(7R)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane;copper;trifluoromethanesulfonic acid is CC(C)(O[Si](C)(C)C(C)(C)C)[C@@H]1CCc2ccc(-c3ccc4c(n3)[C@H](C(C)(C)O[Si](C)(C)C(C)(C)C)CC4)nc21.O=S(=O)(O)C(F)(F)F.[Cu].
What is the InChIKey of tert-butyl-[2-[(7R)-2-[(7R)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane;copper;trifluoromethanesulfonic acid?
The InChIKey is AAQAOVISUCCCHG-KUSCCAPHSA-N. The full InChI is InChI=1S/C34H56N2O2Si2.CHF3O3S.Cu/c1-31(2,3)39(11,12)37-33(7,8)25-19-15-23-17-21-27(35-29(23)25)28-22-18-24-16-20-26(30(24)36-28)34(9,10)38-40(13,14)32(4,5)6;2-1(3,4)8(5,6)7;/h17-18,21-22,25-26H,15-16,19-20H2,1-14H3;(H,5,6,7);/t25-,26-;;/m1../s1.
What are the key properties of tert-butyl-[2-[(7R)-2-[(7R)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane;copper;trifluoromethanesulfonic acid?
tert-butyl-[2-[(7R)-2-[(7R)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane;copper;trifluoromethanesulfonic acid has a molecular weight of 794.63 g/mol, XLogP of 10.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(7R)-2-[(7R)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane;copper;trifluoromethanesulfonic acid is sourced from PubChem (CID 11814740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).