[3,6-bis(2-trimethylsilylethynyl)-9H-fluoren-1-yl]methanol

C24H28OSi2 — CID 174060733

IUPAC[3,6-bis(2-trimethylsilylethynyl)-9H-fluoren-1-yl]methanol
SMILESC[Si](C)(C)C#Cc1ccc2c(c1)-c1cc(C#C[Si](C)(C)C)cc(CO)c1C2
InChIInChI=1S/C24H28OSi2/c1-26(2,3)11-9-18-7-8-20-16-23-21(17-25)13-19(10-12-27(4,5)6)15-24(23)22(20)14-18/h7-8,13-15,25H,16-17H2,1-6H3
InChIKeyAWNFZSMUDCRFKA-UHFFFAOYSA-N
MW388.66 g/mol
LogP5.21
Rot. Bonds1

About [3,6-bis(2-trimethylsilylethynyl)-9H-fluoren-1-yl]methanol

[3,6-bis(2-trimethylsilylethynyl)-9H-fluoren-1-yl]methanol (PubChem CID 174060733) has the molecular formula C24H28OSi2 and a molecular weight of 388.66 g/mol. Its IUPAC name is [3,6-bis(2-trimethylsilylethynyl)-9H-fluoren-1-yl]methanol.

Molecular Properties

Compound Name[3,6-bis(2-trimethylsilylethynyl)-9H-fluoren-1-yl]methanol
PubChem CID174060733
Molecular FormulaC24H28OSi2
Molecular Weight388.66 g/mol
Exact Mass388.17
IUPAC Name[3,6-bis(2-trimethylsilylethynyl)-9H-fluoren-1-yl]methanol
SMILESC[Si](C)(C)C#Cc1ccc2c(c1)-c1cc(C#C[Si](C)(C)C)cc(CO)c1C2
InChIInChI=1S/C24H28OSi2/c1-26(2,3)11-9-18-7-8-20-16-23-21(17-25)13-19(10-12-27(4,5)6)15-24(23)22(20)14-18/h7-8,13-15,25H,16-17H2,1-6H3
InChIKeyAWNFZSMUDCRFKA-UHFFFAOYSA-N
XLogP5.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.66
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-trimethylsilylethynyl)phenol
CID 10750210
4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol
CID 11843653
[3-(2-trimethylsilylethynyl)phenyl]methanol
CID 68608963
1-phenyl-8-(2-trimethylsilylethynyl)-3,5-dihydro-2-benzazepin-4-one
CID 160629206
[2,6-difluoro-4-(2-trimethylsilylethynyl)phenyl]methanol
CID 151363788
2-chloro-4-(2-trimethylsilylethynyl)phenol
CID 125485376
2-(1,3-benzodioxol-5-yl)ethynyl-trimethylsilane
CID 10911026
trimethyl(2-phenanthren-2-ylethynyl)silane
CID 131953552
[2-(hydroxymethyl)-4-prop-1-ynylphenyl]methanol
CID 67687070
[4-(2-trimethylsilylethynyl)thiophen-2-yl]methanol
CID 177059961
2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid
CID 19957500
trimethyl-[2-[7'-(2-trimethylsilylethynyl)-9,9'-spirobi[fluorene]-2'-yl]ethynyl]silane
CID 22020070

Frequently Asked Questions

What is the IUPAC name of [3,6-bis(2-trimethylsilylethynyl)-9H-fluoren-1-yl]methanol?
The IUPAC name of [3,6-bis(2-trimethylsilylethynyl)-9H-fluoren-1-yl]methanol (CID 174060733) is [3,6-bis(2-trimethylsilylethynyl)-9H-fluoren-1-yl]methanol.
What is the SMILES notation for [3,6-bis(2-trimethylsilylethynyl)-9H-fluoren-1-yl]methanol?
The canonical SMILES for [3,6-bis(2-trimethylsilylethynyl)-9H-fluoren-1-yl]methanol is C[Si](C)(C)C#Cc1ccc2c(c1)-c1cc(C#C[Si](C)(C)C)cc(CO)c1C2.
What is the InChIKey of [3,6-bis(2-trimethylsilylethynyl)-9H-fluoren-1-yl]methanol?
The InChIKey is AWNFZSMUDCRFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28OSi2/c1-26(2,3)11-9-18-7-8-20-16-23-21(17-25)13-19(10-12-27(4,5)6)15-24(23)22(20)14-18/h7-8,13-15,25H,16-17H2,1-6H3.
What are the key properties of [3,6-bis(2-trimethylsilylethynyl)-9H-fluoren-1-yl]methanol?
[3,6-bis(2-trimethylsilylethynyl)-9H-fluoren-1-yl]methanol has a molecular weight of 388.66 g/mol, XLogP of 5.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-bis(2-trimethylsilylethynyl)-9H-fluoren-1-yl]methanol is sourced from PubChem (CID 174060733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).