2-(8,8-dimethyl-5,5-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)-6-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)pyrazine

C60H48N2OSSi2 — CID 123783372

IUPAC2-(8,8-dimethyl-5,5-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)-6-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)pyrazine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2c(-c3cncc(-c4cccc5c4Sc4c(ccc6c4-c4ccccc4C6(C)C)[Si]5(C)C)n3)cccc2[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C60H48N2OSSi2/c1-59(2)43-27-15-13-23-39(43)53-45(59)31-33-50-56(53)63-55-41(25-17-29-49(55)66(50,37-19-9-7-10-20-37)38-21-11-8-12-22-38)47-35-61-36-48(62-47)42-26-18-30-51-57(42)64-58-52(65(51,5)6)34-32-46-54(58)40-24-14-16-28-44(40)60(46,3)4/h7-36H,1-6H3
InChIKeyLSNAGNGMOMXHES-UHFFFAOYSA-N
MW901.30 g/mol
LogP11.19
Rot. Bonds4

About 2-(8,8-dimethyl-5,5-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)-6-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)pyrazine

2-(8,8-dimethyl-5,5-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)-6-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)pyrazine (PubChem CID 123783372) has the molecular formula C60H48N2OSSi2 and a molecular weight of 901.30 g/mol. Its IUPAC name is 2-(8,8-dimethyl-5,5-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)-6-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(8,8-dimethyl-5,5-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)-6-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)pyrazine
PubChem CID123783372
Molecular FormulaC60H48N2OSSi2
Molecular Weight901.30 g/mol
Exact Mass900.30
IUPAC Name2-(8,8-dimethyl-5,5-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)-6-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)pyrazine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2c(-c3cncc(-c4cccc5c4Sc4c(ccc6c4-c4ccccc4C6(C)C)[Si]5(C)C)n3)cccc2[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C60H48N2OSSi2/c1-59(2)43-27-15-13-23-39(43)53-45(59)31-33-50-56(53)63-55-41(25-17-29-49(55)66(50,37-19-9-7-10-20-37)38-21-11-8-12-22-38)47-35-61-36-48(62-47)42-26-18-30-51-57(42)64-58-52(65(51,5)6)34-32-46-54(58)40-24-14-16-28-44(40)60(46,3)4/h7-36H,1-6H3
InChIKeyLSNAGNGMOMXHES-UHFFFAOYSA-N
XLogP11.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.30
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(8,8-dimethyl-5,5-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)-6-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(8,8-dimethyl-5,5-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)-6-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)pyrazine?
The IUPAC name of 2-(8,8-dimethyl-5,5-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)-6-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)pyrazine (CID 123783372) is 2-(8,8-dimethyl-5,5-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)-6-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)pyrazine.
What is the SMILES notation for 2-(8,8-dimethyl-5,5-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)-6-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)pyrazine?
The canonical SMILES for 2-(8,8-dimethyl-5,5-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)-6-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)pyrazine is CC1(C)c2ccccc2-c2c1ccc1c2Oc2c(-c3cncc(-c4cccc5c4Sc4c(ccc6c4-c4ccccc4C6(C)C)[Si]5(C)C)n3)cccc2[Si]1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(8,8-dimethyl-5,5-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)-6-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)pyrazine?
The InChIKey is LSNAGNGMOMXHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N2OSSi2/c1-59(2)43-27-15-13-23-39(43)53-45(59)31-33-50-56(53)63-55-41(25-17-29-49(55)66(50,37-19-9-7-10-20-37)38-21-11-8-12-22-38)47-35-61-36-48(62-47)42-26-18-30-51-57(42)64-58-52(65(51,5)6)34-32-46-54(58)40-24-14-16-28-44(40)60(46,3)4/h7-36H,1-6H3.
What are the key properties of 2-(8,8-dimethyl-5,5-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)-6-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)pyrazine?
2-(8,8-dimethyl-5,5-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)-6-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)pyrazine has a molecular weight of 901.30 g/mol, XLogP of 11.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,8-dimethyl-5,5-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)-6-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)pyrazine is sourced from PubChem (CID 123783372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).