[4-[2,6-bis[3,6-bis(trimethylsilyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane

C68H80N2Si6 — CID 59357230

About [4-[2,6-bis[3,6-bis(trimethylsilyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane

[4-[2,6-bis[3,6-bis(trimethylsilyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane (PubChem CID 59357230) has the molecular formula C68H80N2Si6 and a molecular weight of 1093.92 g/mol. Its IUPAC name is [4-[2,6-bis[3,6-bis(trimethylsilyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane.

Molecular Properties

• Compound Name: [4-[2,6-bis[3,6-bis(trimethylsilyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane
• PubChem CID: 59357230
• Molecular Formula: C68H80N2Si6
• Molecular Weight: 1093.92 g/mol
• Exact Mass: 1092.49
• IUPAC Name: [4-[2,6-bis[3,6-bis(trimethylsilyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane
• SMILES: C[Si](C)(C)c1ccc(-c2c3ccc(-n4c5ccc([Si](C)(C)C)cc5c5cc([Si](C)(C)C)ccc54)cc3c(-c3ccc([Si](C)(C)C)cc3)c3ccc(-n4c5ccc([Si](C)(C)C)cc5c5cc([Si](C)(C)C)ccc54)cc23)cc1
• InChI: InChI=1S/C68H80N2Si6/c1-71(2,3)49-25-19-45(20-26-49)67-55-33-23-48(70-65-37-31-53(75(13,14)15)43-59(65)60-44-54(76(16,17)18)32-38-66(60)70)40-62(55)68(46-21-27-50(28-22-46)72(4,5)6)56-34-24-47(39-61(56)67)69-63-35-29-51(73(7,8)9)41-57(63)58-42-52(74(10,11)12)30-36-64(58)69/h19-44H,1-18H3
• InChIKey: OSBURTNBJCRMHT-UHFFFAOYSA-N
• XLogP: 16.79
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1093.92
LogP ≤ 5	16.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[2,6-bis[3,6-bis(trimethylsilyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane?

The IUPAC name of [4-[2,6-bis[3,6-bis(trimethylsilyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane (CID 59357230) is [4-[2,6-bis[3,6-bis(trimethylsilyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane.

What is the SMILES notation for [4-[2,6-bis[3,6-bis(trimethylsilyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane?

The canonical SMILES for [4-[2,6-bis[3,6-bis(trimethylsilyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2c3ccc(-n4c5ccc([Si](C)(C)C)cc5c5cc([Si](C)(C)C)ccc54)cc3c(-c3ccc([Si](C)(C)C)cc3)c3ccc(-n4c5ccc([Si](C)(C)C)cc5c5cc([Si](C)(C)C)ccc54)cc23)cc1.

What is the InChIKey of [4-[2,6-bis[3,6-bis(trimethylsilyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane?

The InChIKey is OSBURTNBJCRMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H80N2Si6/c1-71(2,3)49-25-19-45(20-26-49)67-55-33-23-48(70-65-37-31-53(75(13,14)15)43-59(65)60-44-54(76(16,17)18)32-38-66(60)70)40-62(55)68(46-21-27-50(28-22-46)72(4,5)6)56-34-24-47(39-61(56)67)69-63-35-29-51(73(7,8)9)41-57(63)58-42-52(74(10,11)12)30-36-64(58)69/h19-44H,1-18H3.

What are the key properties of [4-[2,6-bis[3,6-bis(trimethylsilyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane?

[4-[2,6-bis[3,6-bis(trimethylsilyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane has a molecular weight of 1093.92 g/mol, XLogP of 16.79, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2,6-bis[3,6-bis(trimethylsilyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 59357230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).