(2,7-ditert-butyl-9-methylfluoren-9-yl)-trimethylsilane

C25H36Si — CID 67896056

IUPAC(2,7-ditert-butyl-9-methylfluoren-9-yl)-trimethylsilane
SMILESCC(C)(C)c1ccc2c(c1)C(C)([Si](C)(C)C)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C25H36Si/c1-23(2,3)17-11-13-19-20-14-12-18(24(4,5)6)16-22(20)25(7,21(19)15-17)26(8,9)10/h11-16H,1-10H3
InChIKeyKBJFZBZQZKACOL-UHFFFAOYSA-N
MW364.65 g/mol
LogP7.45
Rot. Bonds1

About (2,7-ditert-butyl-9-methylfluoren-9-yl)-trimethylsilane

(2,7-ditert-butyl-9-methylfluoren-9-yl)-trimethylsilane (PubChem CID 67896056) has the molecular formula C25H36Si and a molecular weight of 364.65 g/mol. Its IUPAC name is (2,7-ditert-butyl-9-methylfluoren-9-yl)-trimethylsilane.

Molecular Properties

Compound Name(2,7-ditert-butyl-9-methylfluoren-9-yl)-trimethylsilane
PubChem CID67896056
Molecular FormulaC25H36Si
Molecular Weight364.65 g/mol
Exact Mass364.26
IUPAC Name(2,7-ditert-butyl-9-methylfluoren-9-yl)-trimethylsilane
SMILESCC(C)(C)c1ccc2c(c1)C(C)([Si](C)(C)C)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C25H36Si/c1-23(2,3)17-11-13-19-20-14-12-18(24(4,5)6)16-22(20)25(7,21(19)15-17)26(8,9)10/h11-16H,1-10H3
InChIKeyKBJFZBZQZKACOL-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.65
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,7-ditert-butyl-9-[4-[4-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
CID 11767814
2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene
CID 59611270
2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
CID 90153663
4-(2,7-ditert-butyl-9-methylfluoren-9-yl)butan-1-amine
CID 166931195
5,5,8,8,12,12,16,16,19,19-decamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene;2,7-ditert-butyl-9,9-dimethylfluorene
CID 159255668
2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
CID 10055798
2-tert-butyl-9,9-difluoro-7-methylfluorene;ethane
CID 157036733
2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
[2,7-ditert-butyl-9-(phenylmethoxymethyl)fluoren-9-yl]-trimethylsilane
CID 19902697
(9S)-2-tert-butyl-9-methyl-7-propan-2-ylfluoren-9-ol
CID 130401999
2'-tert-butylspiro[cyclohexane-1,9'-fluorene]
CID 168798514
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044

Frequently Asked Questions

What is the IUPAC name of (2,7-ditert-butyl-9-methylfluoren-9-yl)-trimethylsilane?
The IUPAC name of (2,7-ditert-butyl-9-methylfluoren-9-yl)-trimethylsilane (CID 67896056) is (2,7-ditert-butyl-9-methylfluoren-9-yl)-trimethylsilane.
What is the SMILES notation for (2,7-ditert-butyl-9-methylfluoren-9-yl)-trimethylsilane?
The canonical SMILES for (2,7-ditert-butyl-9-methylfluoren-9-yl)-trimethylsilane is CC(C)(C)c1ccc2c(c1)C(C)([Si](C)(C)C)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of (2,7-ditert-butyl-9-methylfluoren-9-yl)-trimethylsilane?
The InChIKey is KBJFZBZQZKACOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36Si/c1-23(2,3)17-11-13-19-20-14-12-18(24(4,5)6)16-22(20)25(7,21(19)15-17)26(8,9)10/h11-16H,1-10H3.
What are the key properties of (2,7-ditert-butyl-9-methylfluoren-9-yl)-trimethylsilane?
(2,7-ditert-butyl-9-methylfluoren-9-yl)-trimethylsilane has a molecular weight of 364.65 g/mol, XLogP of 7.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-ditert-butyl-9-methylfluoren-9-yl)-trimethylsilane is sourced from PubChem (CID 67896056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).