2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane]

C23H28S — CID 90365446

IUPAC2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane]
SMILESCC(C)c1ccc2c(c1)C1(CCCCS1)c1cc(C(C)C)ccc1-2
InChIInChI=1S/C23H28S/c1-15(2)17-7-9-19-20-10-8-18(16(3)4)14-22(20)23(21(19)13-17)11-5-6-12-24-23/h7-10,13-16H,5-6,11-12H2,1-4H3
InChIKeyIFXIZHUUAUXTAL-UHFFFAOYSA-N
MW336.54 g/mol
LogP7.07
Rot. Bonds2

About 2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane]

2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane] (PubChem CID 90365446) has the molecular formula C23H28S and a molecular weight of 336.54 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane].

Molecular Properties

Compound Name2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane]
PubChem CID90365446
Molecular FormulaC23H28S
Molecular Weight336.54 g/mol
Exact Mass336.19
IUPAC Name2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane]
SMILESCC(C)c1ccc2c(c1)C1(CCCCS1)c1cc(C(C)C)ccc1-2
InChIInChI=1S/C23H28S/c1-15(2)17-7-9-19-20-10-8-18(16(3)4)14-22(20)23(21(19)13-17)11-5-6-12-24-23/h7-10,13-16H,5-6,11-12H2,1-4H3
InChIKeyIFXIZHUUAUXTAL-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.54
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-5-phenyl-2,3-dihydro-1H-indene
CID 3054951
Spiro[1,3-dithiane-2,9'-fluorene]
CID 607268
9h-Fluoren-9-yl methyl sulfide
CID 271221
2,3,9-Trimethylfluorene
CID 150426
2,7,9-Trimethylfluorene
CID 152015
ME-3,11-Dithia-tricyclo(11.2.2.1(5,9))octadeca-1(16),5,7,9(18),13(17),14-hexaene
CID 4182760
Gandelman335b (Andreii)
CID 168333455
2-ethyl-9-methyl-9H-fluorene
CID 4207096
2-Fluoren-9-ylidene-1,3-dithiane
CID 13207734
CID 14925385
CID 14925385
1,3,9-Trimethyl-fluorene
CID 129671405
9,9-Bis(ethylsulfanyl)fluorene
CID 12616130

Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane]?
The IUPAC name of 2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane] (CID 90365446) is 2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane].
What is the SMILES notation for 2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane]?
The canonical SMILES for 2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane] is CC(C)c1ccc2c(c1)C1(CCCCS1)c1cc(C(C)C)ccc1-2.
What is the InChIKey of 2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane]?
The InChIKey is IFXIZHUUAUXTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28S/c1-15(2)17-7-9-19-20-10-8-18(16(3)4)14-22(20)23(21(19)13-17)11-5-6-12-24-23/h7-10,13-16H,5-6,11-12H2,1-4H3.
What are the key properties of 2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane]?
2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane] has a molecular weight of 336.54 g/mol, XLogP of 7.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane] is sourced from PubChem (CID 90365446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).