[3-[4-phenoxazin-10-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

C63H46N4OSi2 — CID 153495105

About [3-[4-phenoxazin-10-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

[3-[4-phenoxazin-10-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 153495105) has the molecular formula C63H46N4OSi2 and a molecular weight of 931.26 g/mol. Its IUPAC name is [3-[4-phenoxazin-10-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-phenoxazin-10-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 153495105
• Molecular Formula: C63H46N4OSi2
• Molecular Weight: 931.26 g/mol
• Exact Mass: 930.32
• IUPAC Name: [3-[4-phenoxazin-10-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)nc(N4c5ccccc5Oc5ccccc54)n3)c2)cc1
• InChI: InChI=1S/C63H46N4OSi2/c1-7-27-49(28-8-1)69(50-29-9-2-10-30-50,51-31-11-3-12-32-51)55-39-23-25-47(45-55)61-64-62(66-63(65-61)67-57-41-19-21-43-59(57)68-60-44-22-20-42-58(60)67)48-26-24-40-56(46-48)70(52-33-13-4-14-34-52,53-35-15-5-16-36-53)54-37-17-6-18-38-54/h1-46H
• InChIKey: VVKJZEDPSQQDTB-UHFFFAOYSA-N
• XLogP: 9.54
• TPSA: 51.14 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	931.26
LogP ≤ 5	9.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[4-phenoxazin-10-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[4-phenoxazin-10-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 153495105) is [3-[4-phenoxazin-10-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [3-[4-phenoxazin-10-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The canonical SMILES for [3-[4-phenoxazin-10-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)nc(N4c5ccccc5Oc5ccccc54)n3)c2)cc1.

What is the InChIKey of [3-[4-phenoxazin-10-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The InChIKey is VVKJZEDPSQQDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N4OSi2/c1-7-27-49(28-8-1)69(50-29-9-2-10-30-50,51-31-11-3-12-32-51)55-39-23-25-47(45-55)61-64-62(66-63(65-61)67-57-41-19-21-43-59(57)68-60-44-22-20-42-58(60)67)48-26-24-40-56(46-48)70(52-33-13-4-14-34-52,53-35-15-5-16-36-53)54-37-17-6-18-38-54/h1-46H.

What are the key properties of [3-[4-phenoxazin-10-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

[3-[4-phenoxazin-10-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 931.26 g/mol, XLogP of 9.54, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-phenoxazin-10-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 153495105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).