[4-[4-[9,9-dimethyl-1-(9,9'-spirobi[fluorene]-2-yl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane

C58H45N3Si — CID 177088089

About [4-[4-[9,9-dimethyl-1-(9,9'-spirobi[fluorene]-2-yl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane

[4-[4-[9,9-dimethyl-1-(9,9'-spirobi[fluorene]-2-yl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane (PubChem CID 177088089) has the molecular formula C58H45N3Si and a molecular weight of 812.10 g/mol. Its IUPAC name is [4-[4-[9,9-dimethyl-1-(9,9'-spirobi[fluorene]-2-yl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane.

Molecular Properties

• Compound Name: [4-[4-[9,9-dimethyl-1-(9,9'-spirobi[fluorene]-2-yl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
• PubChem CID: 177088089
• Molecular Formula: C58H45N3Si
• Molecular Weight: 812.10 g/mol
• Exact Mass: 811.34
• IUPAC Name: [4-[4-[9,9-dimethyl-1-(9,9'-spirobi[fluorene]-2-yl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
• SMILES: CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccc([Si](C)(C)C)cc4)n3)ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c21
• InChI: InChI=1S/C58H45N3Si/c1-57(2)47-23-13-12-22-45(47)52-46(56-60-54(36-17-7-6-8-18-36)59-55(61-56)37-27-30-39(31-28-37)62(3,4)5)34-33-40(53(52)57)38-29-32-44-43-21-11-16-26-50(43)58(51(44)35-38)48-24-14-9-19-41(48)42-20-10-15-25-49(42)58/h6-35H,1-5H3
• InChIKey: GEGFIFKUIJYFFT-UHFFFAOYSA-N
• XLogP: 13.73
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.10
LogP ≤ 5	13.73
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-[9,9-dimethyl-1-(9,9'-spirobi[fluorene]-2-yl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane?

The IUPAC name of [4-[4-[9,9-dimethyl-1-(9,9'-spirobi[fluorene]-2-yl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane (CID 177088089) is [4-[4-[9,9-dimethyl-1-(9,9'-spirobi[fluorene]-2-yl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane.

What is the SMILES notation for [4-[4-[9,9-dimethyl-1-(9,9'-spirobi[fluorene]-2-yl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane?

The canonical SMILES for [4-[4-[9,9-dimethyl-1-(9,9'-spirobi[fluorene]-2-yl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccc([Si](C)(C)C)cc4)n3)ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c21.

What is the InChIKey of [4-[4-[9,9-dimethyl-1-(9,9'-spirobi[fluorene]-2-yl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane?

The InChIKey is GEGFIFKUIJYFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N3Si/c1-57(2)47-23-13-12-22-45(47)52-46(56-60-54(36-17-7-6-8-18-36)59-55(61-56)37-27-30-39(31-28-37)62(3,4)5)34-33-40(53(52)57)38-29-32-44-43-21-11-16-26-50(43)58(51(44)35-38)48-24-14-9-19-41(48)42-20-10-15-25-49(42)58/h6-35H,1-5H3.

What are the key properties of [4-[4-[9,9-dimethyl-1-(9,9'-spirobi[fluorene]-2-yl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane?

[4-[4-[9,9-dimethyl-1-(9,9'-spirobi[fluorene]-2-yl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane has a molecular weight of 812.10 g/mol, XLogP of 13.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[9,9-dimethyl-1-(9,9'-spirobi[fluorene]-2-yl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 177088089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).