2'-(2-spiro[1,3-dithiolane-2,9'-fluorene]-2'-yloxyethoxy)spiro[1,3-dithiolane-2,9'-fluorene]

C32H26O2S4 — CID 102267885

IUPAC2'-(2-spiro[1,3-dithiolane-2,9'-fluorene]-2'-yloxyethoxy)spiro[1,3-dithiolane-2,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccc(OCCOc3ccc4c(c3)C3(SCCS3)c3ccccc3-4)cc1C21SCCS1
InChIInChI=1S/C32H26O2S4/c1-3-7-27-23(5-1)25-11-9-21(19-29(25)31(27)35-15-16-36-31)33-13-14-34-22-10-12-26-24-6-2-4-8-28(24)32(30(26)20-22)37-17-18-38-32/h1-12,19-20H,13-18H2
InChIKeyBIZKEEZGUOLYHY-UHFFFAOYSA-N
MW570.83 g/mol
LogP8.47
Rot. Bonds5

About 2'-(2-spiro[1,3-dithiolane-2,9'-fluorene]-2'-yloxyethoxy)spiro[1,3-dithiolane-2,9'-fluorene]

2'-(2-spiro[1,3-dithiolane-2,9'-fluorene]-2'-yloxyethoxy)spiro[1,3-dithiolane-2,9'-fluorene] (PubChem CID 102267885) has the molecular formula C32H26O2S4 and a molecular weight of 570.83 g/mol. Its IUPAC name is 2'-(2-spiro[1,3-dithiolane-2,9'-fluorene]-2'-yloxyethoxy)spiro[1,3-dithiolane-2,9'-fluorene].

Molecular Properties

Compound Name2'-(2-spiro[1,3-dithiolane-2,9'-fluorene]-2'-yloxyethoxy)spiro[1,3-dithiolane-2,9'-fluorene]
PubChem CID102267885
Molecular FormulaC32H26O2S4
Molecular Weight570.83 g/mol
Exact Mass570.08
IUPAC Name2'-(2-spiro[1,3-dithiolane-2,9'-fluorene]-2'-yloxyethoxy)spiro[1,3-dithiolane-2,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccc(OCCOc3ccc4c(c3)C3(SCCS3)c3ccccc3-4)cc1C21SCCS1
InChIInChI=1S/C32H26O2S4/c1-3-7-27-23(5-1)25-11-9-21(19-29(25)31(27)35-15-16-36-31)33-13-14-34-22-10-12-26-24-6-2-4-8-28(24)32(30(26)20-22)37-17-18-38-32/h1-12,19-20H,13-18H2
InChIKeyBIZKEEZGUOLYHY-UHFFFAOYSA-N
XLogP8.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.83
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2'-(2-spiro[1,3-dithiolane-2,9'-fluorene]-2'-yloxyethoxy)spiro[1,3-dithiolane-2,9'-fluorene]?
The IUPAC name of 2'-(2-spiro[1,3-dithiolane-2,9'-fluorene]-2'-yloxyethoxy)spiro[1,3-dithiolane-2,9'-fluorene] (CID 102267885) is 2'-(2-spiro[1,3-dithiolane-2,9'-fluorene]-2'-yloxyethoxy)spiro[1,3-dithiolane-2,9'-fluorene].
What is the SMILES notation for 2'-(2-spiro[1,3-dithiolane-2,9'-fluorene]-2'-yloxyethoxy)spiro[1,3-dithiolane-2,9'-fluorene]?
The canonical SMILES for 2'-(2-spiro[1,3-dithiolane-2,9'-fluorene]-2'-yloxyethoxy)spiro[1,3-dithiolane-2,9'-fluorene] is c1ccc2c(c1)-c1ccc(OCCOc3ccc4c(c3)C3(SCCS3)c3ccccc3-4)cc1C21SCCS1.
What is the InChIKey of 2'-(2-spiro[1,3-dithiolane-2,9'-fluorene]-2'-yloxyethoxy)spiro[1,3-dithiolane-2,9'-fluorene]?
The InChIKey is BIZKEEZGUOLYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O2S4/c1-3-7-27-23(5-1)25-11-9-21(19-29(25)31(27)35-15-16-36-31)33-13-14-34-22-10-12-26-24-6-2-4-8-28(24)32(30(26)20-22)37-17-18-38-32/h1-12,19-20H,13-18H2.
What are the key properties of 2'-(2-spiro[1,3-dithiolane-2,9'-fluorene]-2'-yloxyethoxy)spiro[1,3-dithiolane-2,9'-fluorene]?
2'-(2-spiro[1,3-dithiolane-2,9'-fluorene]-2'-yloxyethoxy)spiro[1,3-dithiolane-2,9'-fluorene] has a molecular weight of 570.83 g/mol, XLogP of 8.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(2-spiro[1,3-dithiolane-2,9'-fluorene]-2'-yloxyethoxy)spiro[1,3-dithiolane-2,9'-fluorene] is sourced from PubChem (CID 102267885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).