1,2-bis(2-trimethylsilylethynyl)anthracene-9,10-diimine

C24H26N2Si2 — CID 174975761

IUPAC1,2-bis(2-trimethylsilylethynyl)anthracene-9,10-diimine
SMILES[H]/N=C1\c2ccccc2/C(=N\[H])c2c1ccc(C#C[Si](C)(C)C)c2C#C[Si](C)(C)C
InChIInChI=1S/C24H26N2Si2/c1-27(2,3)15-13-17-11-12-21-22(18(17)14-16-28(4,5)6)24(26)20-10-8-7-9-19(20)23(21)25/h7-12,25-26H,1-6H3/b25-23+,26-24+
InChIKeyCIAJBGFVIIDUPK-OGGGYYITSA-N
MW398.66 g/mol
LogP5.29
Rot. Bonds

About 1,2-bis(2-trimethylsilylethynyl)anthracene-9,10-diimine

1,2-bis(2-trimethylsilylethynyl)anthracene-9,10-diimine (PubChem CID 174975761) has the molecular formula C24H26N2Si2 and a molecular weight of 398.66 g/mol. Its IUPAC name is 1,2-bis(2-trimethylsilylethynyl)anthracene-9,10-diimine.

Molecular Properties

Compound Name1,2-bis(2-trimethylsilylethynyl)anthracene-9,10-diimine
PubChem CID174975761
Molecular FormulaC24H26N2Si2
Molecular Weight398.66 g/mol
Exact Mass398.16
IUPAC Name1,2-bis(2-trimethylsilylethynyl)anthracene-9,10-diimine
SMILES[H]/N=C1\c2ccccc2/C(=N\[H])c2c1ccc(C#C[Si](C)(C)C)c2C#C[Si](C)(C)C
InChIInChI=1S/C24H26N2Si2/c1-27(2,3)15-13-17-11-12-21-22(18(17)14-16-28(4,5)6)24(26)20-10-8-7-9-19(20)23(21)25/h7-12,25-26H,1-6H3/b25-23+,26-24+
InChIKeyCIAJBGFVIIDUPK-OGGGYYITSA-N
XLogP5.29
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.66
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-trimethylsilylethynyl)anthracene-9,10-diimine?
The IUPAC name of 1,2-bis(2-trimethylsilylethynyl)anthracene-9,10-diimine (CID 174975761) is 1,2-bis(2-trimethylsilylethynyl)anthracene-9,10-diimine.
What is the SMILES notation for 1,2-bis(2-trimethylsilylethynyl)anthracene-9,10-diimine?
The canonical SMILES for 1,2-bis(2-trimethylsilylethynyl)anthracene-9,10-diimine is [H]/N=C1\c2ccccc2/C(=N\[H])c2c1ccc(C#C[Si](C)(C)C)c2C#C[Si](C)(C)C.
What is the InChIKey of 1,2-bis(2-trimethylsilylethynyl)anthracene-9,10-diimine?
The InChIKey is CIAJBGFVIIDUPK-OGGGYYITSA-N. The full InChI is InChI=1S/C24H26N2Si2/c1-27(2,3)15-13-17-11-12-21-22(18(17)14-16-28(4,5)6)24(26)20-10-8-7-9-19(20)23(21)25/h7-12,25-26H,1-6H3/b25-23+,26-24+.
What are the key properties of 1,2-bis(2-trimethylsilylethynyl)anthracene-9,10-diimine?
1,2-bis(2-trimethylsilylethynyl)anthracene-9,10-diimine has a molecular weight of 398.66 g/mol, XLogP of 5.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-trimethylsilylethynyl)anthracene-9,10-diimine is sourced from PubChem (CID 174975761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).