[4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane

C56H49N3Si2 — CID 177087819

About [4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane

[4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane (PubChem CID 177087819) has the molecular formula C56H49N3Si2 and a molecular weight of 820.20 g/mol. Its IUPAC name is [4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane.

Molecular Properties

• Compound Name: [4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
• PubChem CID: 177087819
• Molecular Formula: C56H49N3Si2
• Molecular Weight: 820.20 g/mol
• Exact Mass: 819.35
• IUPAC Name: [4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
• SMILES: C[Si](C)(C)c1ccc(-c2nc(-c3ccc([Si](C)(C)C)cc3)nc(-c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccccc34)n2)cc1
• InChI: InChI=1S/C56H49N3Si2/c1-60(2,3)43-30-25-38(26-31-43)53-57-54(39-27-32-44(33-28-39)61(4,5)6)59-55(58-53)50-36-35-45(46-21-13-14-22-47(46)50)40-29-34-49-48-23-15-16-24-51(48)56(52(49)37-40,41-17-9-7-10-18-41)42-19-11-8-12-20-42/h7-37H,1-6H3
• InChIKey: GOYLBIHVXJSKBX-UHFFFAOYSA-N
• XLogP: 13.15
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.20
LogP ≤ 5	13.15
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 [4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane?

The IUPAC name of [4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane (CID 177087819) is [4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane.

What is the SMILES notation for [4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane?

The canonical SMILES for [4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2nc(-c3ccc([Si](C)(C)C)cc3)nc(-c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccccc34)n2)cc1.

What is the InChIKey of [4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane?

The InChIKey is GOYLBIHVXJSKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H49N3Si2/c1-60(2,3)43-30-25-38(26-31-43)53-57-54(39-27-32-44(33-28-39)61(4,5)6)59-55(58-53)50-36-35-45(46-21-13-14-22-47(46)50)40-29-34-49-48-23-15-16-24-51(48)56(52(49)37-40,41-17-9-7-10-18-41)42-19-11-8-12-20-42/h7-37H,1-6H3.

What are the key properties of [4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane?

[4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane has a molecular weight of 820.20 g/mol, XLogP of 13.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 177087819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).