trimethyl-[4-[4-[4-(4-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane

C62H51N3Si2 — CID 177087826

About trimethyl-[4-[4-[4-(4-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane

trimethyl-[4-[4-[4-(4-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane (PubChem CID 177087826) has the molecular formula C62H51N3Si2 and a molecular weight of 894.28 g/mol. Its IUPAC name is trimethyl-[4-[4-[4-(4-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane.

Molecular Properties

• Compound Name: trimethyl-[4-[4-[4-(4-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane
• PubChem CID: 177087826
• Molecular Formula: C62H51N3Si2
• Molecular Weight: 894.28 g/mol
• Exact Mass: 893.36
• IUPAC Name: trimethyl-[4-[4-[4-(4-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane
• SMILES: C[Si](C)(C)c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccc7ccccc7c5-6)cc4)cc3)nc(-c3ccc([Si](C)(C)C)cc3)n2)cc1
• InChI: InChI=1S/C62H51N3Si2/c1-66(2,3)48-33-27-45(28-34-48)60-63-59(64-61(65-60)46-29-35-49(36-30-46)67(4,5)6)44-25-23-41(24-26-44)40-19-21-42(22-20-40)47-31-37-53-57(39-47)62(56-38-32-43-13-7-8-14-50(43)58(53)56)54-17-11-9-15-51(54)52-16-10-12-18-55(52)62/h7-39H,1-6H3
• InChIKey: BQHWJFSZTXWFCS-UHFFFAOYSA-N
• XLogP: 14.79
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.28
LogP ≤ 5	14.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[4-[4-(4-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane?

The IUPAC name of trimethyl-[4-[4-[4-(4-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane (CID 177087826) is trimethyl-[4-[4-[4-(4-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane.

What is the SMILES notation for trimethyl-[4-[4-[4-(4-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane?

The canonical SMILES for trimethyl-[4-[4-[4-(4-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane is C[Si](C)(C)c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccc7ccccc7c5-6)cc4)cc3)nc(-c3ccc([Si](C)(C)C)cc3)n2)cc1.

What is the InChIKey of trimethyl-[4-[4-[4-(4-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane?

The InChIKey is BQHWJFSZTXWFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H51N3Si2/c1-66(2,3)48-33-27-45(28-34-48)60-63-59(64-61(65-60)46-29-35-49(36-30-46)67(4,5)6)44-25-23-41(24-26-44)40-19-21-42(22-20-40)47-31-37-53-57(39-47)62(56-38-32-43-13-7-8-14-50(43)58(53)56)54-17-11-9-15-51(54)52-16-10-12-18-55(52)62/h7-39H,1-6H3.

What are the key properties of trimethyl-[4-[4-[4-(4-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane?

trimethyl-[4-[4-[4-(4-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane has a molecular weight of 894.28 g/mol, XLogP of 14.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[4-[4-[4-(4-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane is sourced from PubChem (CID 177087826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).