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

C114H84N6Si4 — CID 158387824

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

[3-[4-[4-[4-[4,6-bis(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 158387824) has the molecular formula C114H84N6Si4 and a molecular weight of 1650.31 g/mol. Its IUPAC name is [3-[4-[4-[4-[4,6-bis(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-[4-[4-[4,6-bis(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 158387824
• Molecular Formula: C114H84N6Si4
• Molecular Weight: 1650.31 g/mol
• Exact Mass: 1648.58
• IUPAC Name: [3-[4-[4-[4-[4,6-bis(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4ccc(-c5ccc(-c6nc(-c7cccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)c7)nc(-c7cccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)c7)n6)cc5)cc4)nc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)n3)c2)cc1
• InChI: InChI=1S/C114H84N6Si4/c1-13-45-93(46-14-1)121(94-47-15-2-16-48-94,95-49-17-3-18-50-95)105-69-37-41-89(81-105)111-115-109(116-112(119-111)90-42-38-70-106(82-90)122(96-51-19-4-20-52-96,97-53-21-5-22-54-97)98-55-23-6-24-56-98)87-77-73-85(74-78-87)86-75-79-88(80-76-86)110-117-113(91-43-39-71-107(83-91)123(99-57-25-7-26-58-99,100-59-27-8-28-60-100)101-61-29-9-30-62-101)120-114(118-110)92-44-40-72-108(84-92)124(102-63-31-10-32-64-102,103-65-33-11-34-66-103)104-67-35-12-36-68-104/h1-84H
• InChIKey: XENUQLYWJNHJSU-UHFFFAOYSA-N
• XLogP: 15.24
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 23
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1650.31
LogP ≤ 5	15.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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

The IUPAC name of [3-[4-[4-[4-[4,6-bis(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 158387824) is [3-[4-[4-[4-[4,6-bis(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [3-[4-[4-[4-[4,6-bis(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4ccc(-c5ccc(-c6nc(-c7cccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)c7)nc(-c7cccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)c7)n6)cc5)cc4)nc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)n3)c2)cc1.

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

The InChIKey is XENUQLYWJNHJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H84N6Si4/c1-13-45-93(46-14-1)121(94-47-15-2-16-48-94,95-49-17-3-18-50-95)105-69-37-41-89(81-105)111-115-109(116-112(119-111)90-42-38-70-106(82-90)122(96-51-19-4-20-52-96,97-53-21-5-22-54-97)98-55-23-6-24-56-98)87-77-73-85(74-78-87)86-75-79-88(80-76-86)110-117-113(91-43-39-71-107(83-91)123(99-57-25-7-26-58-99,100-59-27-8-28-60-100)101-61-29-9-30-62-101)120-114(118-110)92-44-40-72-108(84-92)124(102-63-31-10-32-64-102,103-65-33-11-34-66-103)104-67-35-12-36-68-104/h1-84H.

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

[3-[4-[4-[4-[4,6-bis(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 1650.31 g/mol, XLogP of 15.24, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-[4-[4-[4,6-bis(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 158387824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).