tris[tert-butyl(dimethyl)silyl]-[chloro-(9H-fluoren-9-yl)-tris[tert-butyl(dimethyl)silyl]silylsilyl]silane

C49H99ClSi9 — CID 102149393

IUPACtris[tert-butyl(dimethyl)silyl]-[chloro-(9H-fluoren-9-yl)-tris[tert-butyl(dimethyl)silyl]silylsilyl]silane
SMILESCC(C)(C)[Si](C)(C)[Si]([Si](C)(C)C(C)(C)C)([Si](C)(C)C(C)(C)C)[Si](Cl)(C1c2ccccc2-c2ccccc21)[Si]([Si](C)(C)C(C)(C)C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C49H99ClSi9/c1-44(2,3)51(19,20)58(52(21,22)45(4,5)6,53(23,24)46(7,8)9)57(50,43-41-37-33-31-35-39(41)40-36-32-34-38-42(40)43)59(54(25,26)47(10,11)12,55(27,28)48(13,14)15)56(29,30)49(16,17)18/h31-38,43H,1-30H3
InChIKeyZAXHFSKIAHBQCZ-UHFFFAOYSA-N
MW976.56 g/mol
LogP18.10
Rot. Bonds9

About tris[tert-butyl(dimethyl)silyl]-[chloro-(9H-fluoren-9-yl)-tris[tert-butyl(dimethyl)silyl]silylsilyl]silane

tris[tert-butyl(dimethyl)silyl]-[chloro-(9H-fluoren-9-yl)-tris[tert-butyl(dimethyl)silyl]silylsilyl]silane (PubChem CID 102149393) has the molecular formula C49H99ClSi9 and a molecular weight of 976.56 g/mol. Its IUPAC name is tris[tert-butyl(dimethyl)silyl]-[chloro-(9H-fluoren-9-yl)-tris[tert-butyl(dimethyl)silyl]silylsilyl]silane.

Molecular Properties

Compound Nametris[tert-butyl(dimethyl)silyl]-[chloro-(9H-fluoren-9-yl)-tris[tert-butyl(dimethyl)silyl]silylsilyl]silane
PubChem CID102149393
Molecular FormulaC49H99ClSi9
Molecular Weight976.56 g/mol
Exact Mass974.54
IUPAC Nametris[tert-butyl(dimethyl)silyl]-[chloro-(9H-fluoren-9-yl)-tris[tert-butyl(dimethyl)silyl]silylsilyl]silane
SMILESCC(C)(C)[Si](C)(C)[Si]([Si](C)(C)C(C)(C)C)([Si](C)(C)C(C)(C)C)[Si](Cl)(C1c2ccccc2-c2ccccc21)[Si]([Si](C)(C)C(C)(C)C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C49H99ClSi9/c1-44(2,3)51(19,20)58(52(21,22)45(4,5)6,53(23,24)46(7,8)9)57(50,43-41-37-33-31-35-39(41)40-36-32-34-38-42(40)43)59(54(25,26)47(10,11)12,55(27,28)48(13,14)15)56(29,30)49(16,17)18/h31-38,43H,1-30H3
InChIKeyZAXHFSKIAHBQCZ-UHFFFAOYSA-N
XLogP18.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.56
LogP ≤ 518.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

chloro-cyclopenta-2,4-dien-1-yl-(9H-fluoren-9-yl)-methylsilane
CID 154420413
tris[tert-butyl(dimethyl)silyl]-[fluoren-9-ylidene-tris[tert-butyl(dimethyl)silyl]silylsilyl]silane
CID 102149390
bis(3-tert-butyl-2-chloro-1H-inden-1-yl)-dimethylsilane;zirconium
CID 175329499
9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
chloro-bis(9H-fluoren-9-yl)-phenylsilane;vanadium(2+);dichloride
CID 22073654
9-deuterio-9-methylfluorene
CID 169301704
(3aS,11bR)-2,2-ditert-butyl-3a,11b-dihydrophenanthro[9,10-d][1,3,2]dioxasilole
CID 6427380
(2,3-dimethyl-1H-inden-1-yl)-trimethylsilane
CID 18766748
N-[(2,3-dimethyl-1H-inden-1-yl)-dimethylsilyl]-2-methylpropan-2-amine
CID 19366088
cyclopentyl-(9H-fluoren-9-yl)-dimethoxysilane
CID 54179598
(3-tert-butyl-5-chloro-2-methoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane
CID 18347434
1,1-dichlorohex-5-enyl-bis(9H-fluoren-9-yl)-methylsilane
CID 140967319

Frequently Asked Questions

What is the IUPAC name of tris[tert-butyl(dimethyl)silyl]-[chloro-(9H-fluoren-9-yl)-tris[tert-butyl(dimethyl)silyl]silylsilyl]silane?
The IUPAC name of tris[tert-butyl(dimethyl)silyl]-[chloro-(9H-fluoren-9-yl)-tris[tert-butyl(dimethyl)silyl]silylsilyl]silane (CID 102149393) is tris[tert-butyl(dimethyl)silyl]-[chloro-(9H-fluoren-9-yl)-tris[tert-butyl(dimethyl)silyl]silylsilyl]silane.
What is the SMILES notation for tris[tert-butyl(dimethyl)silyl]-[chloro-(9H-fluoren-9-yl)-tris[tert-butyl(dimethyl)silyl]silylsilyl]silane?
The canonical SMILES for tris[tert-butyl(dimethyl)silyl]-[chloro-(9H-fluoren-9-yl)-tris[tert-butyl(dimethyl)silyl]silylsilyl]silane is CC(C)(C)[Si](C)(C)[Si]([Si](C)(C)C(C)(C)C)([Si](C)(C)C(C)(C)C)[Si](Cl)(C1c2ccccc2-c2ccccc21)[Si]([Si](C)(C)C(C)(C)C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of tris[tert-butyl(dimethyl)silyl]-[chloro-(9H-fluoren-9-yl)-tris[tert-butyl(dimethyl)silyl]silylsilyl]silane?
The InChIKey is ZAXHFSKIAHBQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H99ClSi9/c1-44(2,3)51(19,20)58(52(21,22)45(4,5)6,53(23,24)46(7,8)9)57(50,43-41-37-33-31-35-39(41)40-36-32-34-38-42(40)43)59(54(25,26)47(10,11)12,55(27,28)48(13,14)15)56(29,30)49(16,17)18/h31-38,43H,1-30H3.
What are the key properties of tris[tert-butyl(dimethyl)silyl]-[chloro-(9H-fluoren-9-yl)-tris[tert-butyl(dimethyl)silyl]silylsilyl]silane?
tris[tert-butyl(dimethyl)silyl]-[chloro-(9H-fluoren-9-yl)-tris[tert-butyl(dimethyl)silyl]silylsilyl]silane has a molecular weight of 976.56 g/mol, XLogP of 18.10, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[tert-butyl(dimethyl)silyl]-[chloro-(9H-fluoren-9-yl)-tris[tert-butyl(dimethyl)silyl]silylsilyl]silane is sourced from PubChem (CID 102149393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).