[7-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-trimethylsilane

C64H51N3Si — CID 177088186

About [7-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-trimethylsilane

[7-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-trimethylsilane (PubChem CID 177088186) has the molecular formula C64H51N3Si and a molecular weight of 890.22 g/mol. Its IUPAC name is [7-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [7-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-trimethylsilane
• PubChem CID: 177088186
• Molecular Formula: C64H51N3Si
• Molecular Weight: 890.22 g/mol
• Exact Mass: 889.39
• IUPAC Name: [7-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-trimethylsilane
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6cc([Si](C)(C)C)ccc6-7)c5)c4)n3)cc21
• InChI: InChI=1S/C64H51N3Si/c1-63(2)56-30-16-15-29-52(56)53-35-32-48(40-57(53)63)62-66-60(42-19-9-6-10-20-42)65-61(67-62)47-24-18-23-45(38-47)43-21-17-22-44(37-43)46-31-34-54-55-36-33-51(68(3,4)5)41-59(55)64(58(54)39-46,49-25-11-7-12-26-49)50-27-13-8-14-28-50/h6-41H,1-5H3
• InChIKey: WSDPAOIYMSSGER-UHFFFAOYSA-N
• XLogP: 15.42
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	890.22
LogP ≤ 5	15.42
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 [7-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-trimethylsilane?

The IUPAC name of [7-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-trimethylsilane (CID 177088186) is [7-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-trimethylsilane.

What is the SMILES notation for [7-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-trimethylsilane?

The canonical SMILES for [7-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-trimethylsilane is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6cc([Si](C)(C)C)ccc6-7)c5)c4)n3)cc21.

What is the InChIKey of [7-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-trimethylsilane?

The InChIKey is WSDPAOIYMSSGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H51N3Si/c1-63(2)56-30-16-15-29-52(56)53-35-32-48(40-57(53)63)62-66-60(42-19-9-6-10-20-42)65-61(67-62)47-24-18-23-45(38-47)43-21-17-22-44(37-43)46-31-34-54-55-36-33-51(68(3,4)5)41-59(55)64(58(54)39-46,49-25-11-7-12-26-49)50-27-13-8-14-28-50/h6-41H,1-5H3.

What are the key properties of [7-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-trimethylsilane?

[7-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-trimethylsilane has a molecular weight of 890.22 g/mol, XLogP of 15.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-trimethylsilane is sourced from PubChem (CID 177088186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).