2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-(3,5-dihexylphenyl)-dimethylsilane

C33H52Si — CID 173383793

IUPAC2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-(3,5-dihexylphenyl)-dimethylsilane
SMILESCCCCCCc1cc(CCCCCC)cc([Si](C)(C)C2C3C=CC=CC3C3CCCCC32)c1
InChIInChI=1S/C33H52Si/c1-5-7-9-11-17-26-23-27(18-12-10-8-6-2)25-28(24-26)34(3,4)33-31-21-15-13-19-29(31)30-20-14-16-22-32(30)33/h13,15,19,21,23-25,29-33H,5-12,14,16-18,20,22H2,1-4H3
InChIKeyWBLLVGOHYLSXBP-UHFFFAOYSA-N
MW476.87 g/mol
LogP9.40
Rot. Bonds12

About 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-(3,5-dihexylphenyl)-dimethylsilane

2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-(3,5-dihexylphenyl)-dimethylsilane (PubChem CID 173383793) has the molecular formula C33H52Si and a molecular weight of 476.87 g/mol. Its IUPAC name is 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-(3,5-dihexylphenyl)-dimethylsilane.

Molecular Properties

Compound Name2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-(3,5-dihexylphenyl)-dimethylsilane
PubChem CID173383793
Molecular FormulaC33H52Si
Molecular Weight476.87 g/mol
Exact Mass476.38
IUPAC Name2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-(3,5-dihexylphenyl)-dimethylsilane
SMILESCCCCCCc1cc(CCCCCC)cc([Si](C)(C)C2C3C=CC=CC3C3CCCCC32)c1
InChIInChI=1S/C33H52Si/c1-5-7-9-11-17-26-23-27(18-12-10-8-6-2)25-28(24-26)34(3,4)33-31-21-15-13-19-29(31)30-20-14-16-22-32(30)33/h13,15,19,21,23-25,29-33H,5-12,14,16-18,20,22H2,1-4H3
InChIKeyWBLLVGOHYLSXBP-UHFFFAOYSA-N
XLogP9.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.87
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-(3,5-dihexylphenyl)-dimethylsilane with MolForge

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Related Compounds

(3,5-dihexylphenyl)-dimethyl-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-3-id-1-yl)silane;titanium(4+);trichloride
CID 173383480
(3,5-dioctylphenyl)-trimethylsilane
CID 156630407
(2-butylcyclopenta-2,4-dien-1-yl)-(3,5-dihexylphenyl)-dimethylsilane
CID 173383564
(3,5-dihexylphenyl)-(2,3-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
CID 173383512
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
1-methyl-3,5-di(pentadecyl)benzene
CID 58289216
1-ethyl-3,5-di(tetradecyl)benzene
CID 91801932
1,3-didecyl-5-(3,5-didecylphenyl)benzene
CID 150677432
1-(3,5-dioctylphenyl)-N-[(1R,2R)-2-[(3,5-dioctylphenyl)methylideneamino]cyclohexyl]methanimine
CID 102009313
2-cyclopentyl-1,3-dimethyl-5-pentylbenzene
CID 176571033
1,3,5-tris[(E)-2-(3,5-dihexylphenyl)ethenyl]benzene
CID 101355748
(3,5-dihexylphenyl)-(1,2-dihydroinden-2-id-1-yl)-dimethylsilane;titanium(4+);trichloride
CID 173384911

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-(3,5-dihexylphenyl)-dimethylsilane?
The IUPAC name of 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-(3,5-dihexylphenyl)-dimethylsilane (CID 173383793) is 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-(3,5-dihexylphenyl)-dimethylsilane.
What is the SMILES notation for 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-(3,5-dihexylphenyl)-dimethylsilane?
The canonical SMILES for 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-(3,5-dihexylphenyl)-dimethylsilane is CCCCCCc1cc(CCCCCC)cc([Si](C)(C)C2C3C=CC=CC3C3CCCCC32)c1.
What is the InChIKey of 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-(3,5-dihexylphenyl)-dimethylsilane?
The InChIKey is WBLLVGOHYLSXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52Si/c1-5-7-9-11-17-26-23-27(18-12-10-8-6-2)25-28(24-26)34(3,4)33-31-21-15-13-19-29(31)30-20-14-16-22-32(30)33/h13,15,19,21,23-25,29-33H,5-12,14,16-18,20,22H2,1-4H3.
What are the key properties of 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-(3,5-dihexylphenyl)-dimethylsilane?
2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-(3,5-dihexylphenyl)-dimethylsilane has a molecular weight of 476.87 g/mol, XLogP of 9.40, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-(3,5-dihexylphenyl)-dimethylsilane is sourced from PubChem (CID 173383793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).