tert-butyl-[4-[2-(9H-fluoren-2-yl)ethynyl]phenoxy]-dimethylsilane

C27H28OSi — CID 101439155

IUPACtert-butyl-[4-[2-(9H-fluoren-2-yl)ethynyl]phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C#Cc2ccc3c(c2)Cc2ccccc2-3)cc1
InChIInChI=1S/C27H28OSi/c1-27(2,3)29(4,5)28-24-15-12-20(13-16-24)10-11-21-14-17-26-23(18-21)19-22-8-6-7-9-25(22)26/h6-9,12-18H,19H2,1-5H3
InChIKeyVUMRQCSVMMPYMZ-UHFFFAOYSA-N
MW396.61 g/mol
LogP7.04
Rot. Bonds2

About tert-butyl-[4-[2-(9H-fluoren-2-yl)ethynyl]phenoxy]-dimethylsilane

tert-butyl-[4-[2-(9H-fluoren-2-yl)ethynyl]phenoxy]-dimethylsilane (PubChem CID 101439155) has the molecular formula C27H28OSi and a molecular weight of 396.61 g/mol. Its IUPAC name is tert-butyl-[4-[2-(9H-fluoren-2-yl)ethynyl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[2-(9H-fluoren-2-yl)ethynyl]phenoxy]-dimethylsilane
PubChem CID101439155
Molecular FormulaC27H28OSi
Molecular Weight396.61 g/mol
Exact Mass396.19
IUPAC Nametert-butyl-[4-[2-(9H-fluoren-2-yl)ethynyl]phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C#Cc2ccc3c(c2)Cc2ccccc2-3)cc1
InChIInChI=1S/C27H28OSi/c1-27(2,3)29(4,5)28-24-15-12-20(13-16-24)10-11-21-14-17-26-23(18-21)19-22-8-6-7-9-25(22)26/h6-9,12-18H,19H2,1-5H3
InChIKeyVUMRQCSVMMPYMZ-UHFFFAOYSA-N
XLogP7.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.61
LogP ≤ 57.04
H-Bond Donors ≤ 50
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

tert-butyl-[4-[2-(3,4-dimethylphenyl)ethynyl]phenoxy]-dimethylsilane
CID 102148278
tert-butyl-dimethyl-[3-[2-(4-trimethylsilylphenyl)ethynyl]phenoxy]silane
CID 101415329
tert-butyl-dimethyl-[(2-methyl-3H-inden-1-yl)oxy]silane
CID 10491616
4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylbut-3-yn-2-ol
CID 139670556
tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-4,5-bis[2-(4-methoxyphenyl)ethynyl]phenoxy]-dimethylsilane
CID 101475074
2,7-bis(prop-1-ynyl)-9H-fluorene
CID 15861923
3-[tert-butyl(dimethyl)silyl]oxy-9-ethynylfluoren-9-ol
CID 132581894
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline
CID 154489620
methyl 4-[4-[2-(9H-fluoren-3-yl)ethynyl]phenyl]benzoate
CID 18738100
2,7-bis(prop-1-ynyl)-9H-fluorene;ethane
CID 90976164
4-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-carboxylic acid;4-(9H-fluoren-2-yloxymethyl)furan-2-carboxylic acid
CID 160528963
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[2-(9H-fluoren-2-yl)ethynyl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[2-(9H-fluoren-2-yl)ethynyl]phenoxy]-dimethylsilane (CID 101439155) is tert-butyl-[4-[2-(9H-fluoren-2-yl)ethynyl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[2-(9H-fluoren-2-yl)ethynyl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[2-(9H-fluoren-2-yl)ethynyl]phenoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(C#Cc2ccc3c(c2)Cc2ccccc2-3)cc1.
What is the InChIKey of tert-butyl-[4-[2-(9H-fluoren-2-yl)ethynyl]phenoxy]-dimethylsilane?
The InChIKey is VUMRQCSVMMPYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28OSi/c1-27(2,3)29(4,5)28-24-15-12-20(13-16-24)10-11-21-14-17-26-23(18-21)19-22-8-6-7-9-25(22)26/h6-9,12-18H,19H2,1-5H3.
What are the key properties of tert-butyl-[4-[2-(9H-fluoren-2-yl)ethynyl]phenoxy]-dimethylsilane?
tert-butyl-[4-[2-(9H-fluoren-2-yl)ethynyl]phenoxy]-dimethylsilane has a molecular weight of 396.61 g/mol, XLogP of 7.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[2-(9H-fluoren-2-yl)ethynyl]phenoxy]-dimethylsilane is sourced from PubChem (CID 101439155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).