bis(4-tert-butylphenyl)-bis(7,9,9-trimethylfluoren-2-yl)silane

C52H56Si — CID 58738500

IUPACbis(4-tert-butylphenyl)-bis(7,9,9-trimethylfluoren-2-yl)silane
SMILESCc1ccc2c(c1)C(C)(C)c1cc([Si](c3ccc(C(C)(C)C)cc3)(c3ccc(C(C)(C)C)cc3)c3ccc4c(c3)C(C)(C)c3cc(C)ccc3-4)ccc1-2
InChIInChI=1S/C52H56Si/c1-33-13-25-41-43-27-23-39(31-47(43)51(9,10)45(41)29-33)53(37-19-15-35(16-20-37)49(3,4)5,38-21-17-36(18-22-38)50(6,7)8)40-24-28-44-42-26-14-34(2)30-46(42)52(11,12)48(44)32-40/h13-32H,1-12H3
InChIKeyDPJMBNLVHQQFNC-UHFFFAOYSA-N
MW709.11 g/mol
LogP10.89
Rot. Bonds4

About bis(4-tert-butylphenyl)-bis(7,9,9-trimethylfluoren-2-yl)silane

bis(4-tert-butylphenyl)-bis(7,9,9-trimethylfluoren-2-yl)silane (PubChem CID 58738500) has the molecular formula C52H56Si and a molecular weight of 709.11 g/mol. Its IUPAC name is bis(4-tert-butylphenyl)-bis(7,9,9-trimethylfluoren-2-yl)silane.

Molecular Properties

Compound Namebis(4-tert-butylphenyl)-bis(7,9,9-trimethylfluoren-2-yl)silane
PubChem CID58738500
Molecular FormulaC52H56Si
Molecular Weight709.11 g/mol
Exact Mass708.42
IUPAC Namebis(4-tert-butylphenyl)-bis(7,9,9-trimethylfluoren-2-yl)silane
SMILESCc1ccc2c(c1)C(C)(C)c1cc([Si](c3ccc(C(C)(C)C)cc3)(c3ccc(C(C)(C)C)cc3)c3ccc4c(c3)C(C)(C)c3cc(C)ccc3-4)ccc1-2
InChIInChI=1S/C52H56Si/c1-33-13-25-41-43-27-23-39(31-47(43)51(9,10)45(41)29-33)53(37-19-15-35(16-20-37)49(3,4)5,38-21-17-36(18-22-38)50(6,7)8)40-24-28-44-42-26-14-34(2)30-46(42)52(11,12)48(44)32-40/h13-32H,1-12H3
InChIKeyDPJMBNLVHQQFNC-UHFFFAOYSA-N
XLogP10.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.11
LogP ≤ 510.89
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

2,7,9,9-tetramethylfluorene
CID 22951928
12,12-bis(4-tert-butylphenyl)-2,6,6-trimethylindeno[1,2-b]fluorene
CID 163875744
9-(4-tert-butylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 58371098
2,6,9,9-tetramethylfluorene
CID 23527438
(4-methylphenyl)-diphenyl-[4-[4-[2-[4-[4-[2-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]phenyl]silane
CID 59061597
2-tert-butyl-9,9-difluoro-7-methylfluorene;ethane
CID 157036733
1,1,6-trimethyl-2,3-dimethylideneindene
CID 145331674
4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene
CID 91449585
(3-tert-butylphenyl)-tris(4-methylphenyl)silane
CID 140946146
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene
CID 59167067
carbanide;2,7,9,9-tetramethylfluorene;7,9,9-trimethyl-2H-fluoren-2-ide;vanadium(2+)
CID 159557413

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylphenyl)-bis(7,9,9-trimethylfluoren-2-yl)silane?
The IUPAC name of bis(4-tert-butylphenyl)-bis(7,9,9-trimethylfluoren-2-yl)silane (CID 58738500) is bis(4-tert-butylphenyl)-bis(7,9,9-trimethylfluoren-2-yl)silane.
What is the SMILES notation for bis(4-tert-butylphenyl)-bis(7,9,9-trimethylfluoren-2-yl)silane?
The canonical SMILES for bis(4-tert-butylphenyl)-bis(7,9,9-trimethylfluoren-2-yl)silane is Cc1ccc2c(c1)C(C)(C)c1cc([Si](c3ccc(C(C)(C)C)cc3)(c3ccc(C(C)(C)C)cc3)c3ccc4c(c3)C(C)(C)c3cc(C)ccc3-4)ccc1-2.
What is the InChIKey of bis(4-tert-butylphenyl)-bis(7,9,9-trimethylfluoren-2-yl)silane?
The InChIKey is DPJMBNLVHQQFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H56Si/c1-33-13-25-41-43-27-23-39(31-47(43)51(9,10)45(41)29-33)53(37-19-15-35(16-20-37)49(3,4)5,38-21-17-36(18-22-38)50(6,7)8)40-24-28-44-42-26-14-34(2)30-46(42)52(11,12)48(44)32-40/h13-32H,1-12H3.
What are the key properties of bis(4-tert-butylphenyl)-bis(7,9,9-trimethylfluoren-2-yl)silane?
bis(4-tert-butylphenyl)-bis(7,9,9-trimethylfluoren-2-yl)silane has a molecular weight of 709.11 g/mol, XLogP of 10.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butylphenyl)-bis(7,9,9-trimethylfluoren-2-yl)silane is sourced from PubChem (CID 58738500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).