4-(9H-fluoren-9-yl)-6,6-dimethyl-6-silabicyclo[3.1.0]hexa-1(5),2-diene

C20H18Si — CID 56997725

IUPAC4-(9H-fluoren-9-yl)-6,6-dimethyl-6-silabicyclo[3.1.0]hexa-1(5),2-diene
SMILESC[Si]1(C)C2=C1C(C1c3ccccc3-c3ccccc31)C=C2
InChIInChI=1S/C20H18Si/c1-21(2)18-12-11-17(20(18)21)19-15-9-5-3-7-13(15)14-8-4-6-10-16(14)19/h3-12,17,19H,1-2H3
InChIKeyBKJRZLWMJMFMRF-UHFFFAOYSA-N
MW286.45 g/mol
LogP5.08
Rot. Bonds1

About 4-(9H-fluoren-9-yl)-6,6-dimethyl-6-silabicyclo[3.1.0]hexa-1(5),2-diene

4-(9H-fluoren-9-yl)-6,6-dimethyl-6-silabicyclo[3.1.0]hexa-1(5),2-diene (PubChem CID 56997725) has the molecular formula C20H18Si and a molecular weight of 286.45 g/mol. Its IUPAC name is 4-(9H-fluoren-9-yl)-6,6-dimethyl-6-silabicyclo[3.1.0]hexa-1(5),2-diene.

Molecular Properties

Compound Name4-(9H-fluoren-9-yl)-6,6-dimethyl-6-silabicyclo[3.1.0]hexa-1(5),2-diene
PubChem CID56997725
Molecular FormulaC20H18Si
Molecular Weight286.45 g/mol
Exact Mass286.12
IUPAC Name4-(9H-fluoren-9-yl)-6,6-dimethyl-6-silabicyclo[3.1.0]hexa-1(5),2-diene
SMILESC[Si]1(C)C2=C1C(C1c3ccccc3-c3ccccc31)C=C2
InChIInChI=1S/C20H18Si/c1-21(2)18-12-11-17(20(18)21)19-15-9-5-3-7-13(15)14-8-4-6-10-16(14)19/h3-12,17,19H,1-2H3
InChIKeyBKJRZLWMJMFMRF-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.45
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-(9H-fluoren-9-yl)-6,6-dimethyl-6-silabicyclo[3.1.0]hexa-1(5),2-diene with MolForge

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Related Compounds

1,1-bis(9H-fluoren-9-yl)siletane
CID 102265958
1-(9H-fluoren-9-yl)-1-methylsiletane
CID 18512845
1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene
CID 13306900
trans-(1R,3S)-3-(9H-fluoren-9-yl)-1,2,2-trimethylcyclopropan-1-ol
CID 102040855
9-deuterio-9-methylfluorene
CID 169301704
9-phenyl-9H-fluorene
CID 13091
1-(9H-fluoren-9-yl)-1-methylsilinane
CID 102018877
1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
CID 141431215
N,N-diethyl-9H-fluoren-9-amine
CID 11481796
lithium 9-ethyl-9H-fluorene
CID 23225742
9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
9-fluoro-9H-fluorene
CID 12685099

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-yl)-6,6-dimethyl-6-silabicyclo[3.1.0]hexa-1(5),2-diene?
The IUPAC name of 4-(9H-fluoren-9-yl)-6,6-dimethyl-6-silabicyclo[3.1.0]hexa-1(5),2-diene (CID 56997725) is 4-(9H-fluoren-9-yl)-6,6-dimethyl-6-silabicyclo[3.1.0]hexa-1(5),2-diene.
What is the SMILES notation for 4-(9H-fluoren-9-yl)-6,6-dimethyl-6-silabicyclo[3.1.0]hexa-1(5),2-diene?
The canonical SMILES for 4-(9H-fluoren-9-yl)-6,6-dimethyl-6-silabicyclo[3.1.0]hexa-1(5),2-diene is C[Si]1(C)C2=C1C(C1c3ccccc3-c3ccccc31)C=C2.
What is the InChIKey of 4-(9H-fluoren-9-yl)-6,6-dimethyl-6-silabicyclo[3.1.0]hexa-1(5),2-diene?
The InChIKey is BKJRZLWMJMFMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Si/c1-21(2)18-12-11-17(20(18)21)19-15-9-5-3-7-13(15)14-8-4-6-10-16(14)19/h3-12,17,19H,1-2H3.
What are the key properties of 4-(9H-fluoren-9-yl)-6,6-dimethyl-6-silabicyclo[3.1.0]hexa-1(5),2-diene?
4-(9H-fluoren-9-yl)-6,6-dimethyl-6-silabicyclo[3.1.0]hexa-1(5),2-diene has a molecular weight of 286.45 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-yl)-6,6-dimethyl-6-silabicyclo[3.1.0]hexa-1(5),2-diene is sourced from PubChem (CID 56997725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).