2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-tris(3,5-diethylphenyl)silane

C43H56Si — CID 173383969

IUPAC2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-tris(3,5-diethylphenyl)silane
SMILESCCc1cc(CC)cc([Si](c2cc(CC)cc(CC)c2)(c2cc(CC)cc(CC)c2)C2C3C=CC=CC3C3CCCCC32)c1
InChIInChI=1S/C43H56Si/c1-7-30-21-31(8-2)25-36(24-30)44(37-26-32(9-3)22-33(10-4)27-37,38-28-34(11-5)23-35(12-6)29-38)43-41-19-15-13-17-39(41)40-18-14-16-20-42(40)43/h13,15,17,19,21-29,39-43H,7-12,14,16,18,20H2,1-6H3
InChIKeyINJSXEHSCHAQPG-UHFFFAOYSA-N
MW601.01 g/mol
LogP9.08
Rot. Bonds10

About 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-tris(3,5-diethylphenyl)silane

2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-tris(3,5-diethylphenyl)silane (PubChem CID 173383969) has the molecular formula C43H56Si and a molecular weight of 601.01 g/mol. Its IUPAC name is 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-tris(3,5-diethylphenyl)silane.

Molecular Properties

Compound Name2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-tris(3,5-diethylphenyl)silane
PubChem CID173383969
Molecular FormulaC43H56Si
Molecular Weight601.01 g/mol
Exact Mass600.42
IUPAC Name2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-tris(3,5-diethylphenyl)silane
SMILESCCc1cc(CC)cc([Si](c2cc(CC)cc(CC)c2)(c2cc(CC)cc(CC)c2)C2C3C=CC=CC3C3CCCCC32)c1
InChIInChI=1S/C43H56Si/c1-7-30-21-31(8-2)25-36(24-30)44(37-26-32(9-3)22-33(10-4)27-37,38-28-34(11-5)23-35(12-6)29-38)43-41-19-15-13-17-39(41)40-18-14-16-20-42(40)43/h13,15,17,19,21-29,39-43H,7-12,14,16,18,20H2,1-6H3
InChIKeyINJSXEHSCHAQPG-UHFFFAOYSA-N
XLogP9.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.01
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-(3,5-dihexylphenyl)-dimethylsilane
CID 173383793
2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-chloro-dimethylsilane
CID 19348914
(3,5-ditert-butylphenyl)-(3,5-diethylphenyl)-(3,5-dimethylphenyl)-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 173473434
CID 173474937
CID 173474937
4,4-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-triethylsilane
CID 18622695
2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-1-id-9-yl-ethyl-methyl-phenylsilane;titanium(4+);trichloride
CID 173383525
4,4-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-trimethylsilane;zirconium(2+);dichloride
CID 18622865
[3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-triphenylsilyloxypentoxy]-triphenylsilane
CID 18622593
tris(3,5-diethylphenyl)-(3-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
CID 140852278
1-cyclopentyloxy-3-ethyl-5-propylbenzene
CID 91071126
tris(3,5-diethylphenyl)-(2,5-dimethylcyclopenta-1,3-dien-1-yl)silane
CID 140589121
lithium;hydride;1,3,5-triethylbenzene
CID 174873379

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-tris(3,5-diethylphenyl)silane?
The IUPAC name of 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-tris(3,5-diethylphenyl)silane (CID 173383969) is 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-tris(3,5-diethylphenyl)silane.
What is the SMILES notation for 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-tris(3,5-diethylphenyl)silane?
The canonical SMILES for 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-tris(3,5-diethylphenyl)silane is CCc1cc(CC)cc([Si](c2cc(CC)cc(CC)c2)(c2cc(CC)cc(CC)c2)C2C3C=CC=CC3C3CCCCC32)c1.
What is the InChIKey of 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-tris(3,5-diethylphenyl)silane?
The InChIKey is INJSXEHSCHAQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H56Si/c1-7-30-21-31(8-2)25-36(24-30)44(37-26-32(9-3)22-33(10-4)27-37,38-28-34(11-5)23-35(12-6)29-38)43-41-19-15-13-17-39(41)40-18-14-16-20-42(40)43/h13,15,17,19,21-29,39-43H,7-12,14,16,18,20H2,1-6H3.
What are the key properties of 2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-tris(3,5-diethylphenyl)silane?
2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl-tris(3,5-diethylphenyl)silane has a molecular weight of 601.01 g/mol, XLogP of 9.08, 10 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-tris(3,5-diethylphenyl)silane is sourced from PubChem (CID 173383969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).