2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenol

C43H49N3O4Si3 — CID 136622044

About 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenol

2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenol (PubChem CID 136622044) has the molecular formula C43H49N3O4Si3 and a molecular weight of 756.14 g/mol. Its IUPAC name is 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenol.

Molecular Properties

• Compound Name: 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenol
• PubChem CID: 136622044
• Molecular Formula: C43H49N3O4Si3
• Molecular Weight: 756.14 g/mol
• Exact Mass: 755.30
• IUPAC Name: 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenol
• SMILES: CC(COc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c(O)c1)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C43H49N3O4Si3/c1-31(53(8,49-51(2,3)4)50-52(5,6)7)30-48-38-27-28-39(40(47)29-38)43-45-41(36-23-19-34(20-24-36)32-15-11-9-12-16-32)44-42(46-43)37-25-21-35(22-26-37)33-17-13-10-14-18-33/h9-29,31,47H,30H2,1-8H3
• InChIKey: SGEHHLWFMREBSQ-UHFFFAOYSA-N
• XLogP: 11.46
• TPSA: 86.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.14
LogP ≤ 5	11.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenol?

The IUPAC name of 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenol (CID 136622044) is 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenol.

What is the SMILES notation for 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenol?

The canonical SMILES for 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenol is CC(COc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c(O)c1)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.

What is the InChIKey of 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenol?

The InChIKey is SGEHHLWFMREBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H49N3O4Si3/c1-31(53(8,49-51(2,3)4)50-52(5,6)7)30-48-38-27-28-39(40(47)29-38)43-45-41(36-23-19-34(20-24-36)32-15-11-9-12-16-32)44-42(46-43)37-25-21-35(22-26-37)33-17-13-10-14-18-33/h9-29,31,47H,30H2,1-8H3.

What are the key properties of 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenol?

2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenol has a molecular weight of 756.14 g/mol, XLogP of 11.46, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenol is sourced from PubChem (CID 136622044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).