2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C28H32F3N3O6 — CID 134489094

IUPAC2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCOCCOc1ccc(-c2ccc3c4cnccc4n(CC(F)(F)F)c3c2)cn1
InChIInChI=1S/C28H32F3N3O6/c29-28(30,31)20-34-25-5-6-32-19-24(25)23-3-1-21(17-26(23)34)22-2-4-27(33-18-22)40-16-15-39-14-13-38-12-11-37-10-9-36-8-7-35/h1-6,17-19,35H,7-16,20H2
InChIKeyTUHWLSIDWAQFTA-UHFFFAOYSA-N
MW563.57 g/mol
LogP4.25
Rot. Bonds17

About 2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 134489094) has the molecular formula C28H32F3N3O6 and a molecular weight of 563.57 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID134489094
Molecular FormulaC28H32F3N3O6
Molecular Weight563.57 g/mol
Exact Mass563.22
IUPAC Name2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCOCCOc1ccc(-c2ccc3c4cnccc4n(CC(F)(F)F)c3c2)cn1
InChIInChI=1S/C28H32F3N3O6/c29-28(30,31)20-34-25-5-6-32-19-24(25)23-3-1-21(17-26(23)34)22-2-4-27(33-18-22)40-16-15-39-14-13-38-12-11-37-10-9-36-8-7-35/h1-6,17-19,35H,7-16,20H2
InChIKeyTUHWLSIDWAQFTA-UHFFFAOYSA-N
XLogP4.25
TPSA97.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.57
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 134489094) is 2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is OCCOCCOCCOCCOCCOc1ccc(-c2ccc3c4cnccc4n(CC(F)(F)F)c3c2)cn1.
What is the InChIKey of 2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is TUHWLSIDWAQFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N3O6/c29-28(30,31)20-34-25-5-6-32-19-24(25)23-3-1-21(17-26(23)34)22-2-4-27(33-18-22)40-16-15-39-14-13-38-12-11-37-10-9-36-8-7-35/h1-6,17-19,35H,7-16,20H2.
What are the key properties of 2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 563.57 g/mol, XLogP of 4.25, 17 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 134489094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).