[3-[4-[2-[3-[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 161006007

About [3-[4-[2-[3-[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-[2-[3-[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 161006007) has the molecular formula C114H84N6Si4 and a molecular weight of 1650.31 g/mol. Its IUPAC name is [3-[4-[2-[3-[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-[2-[3-[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: 161006007
• Molecular Formula: C114H84N6Si4
• Molecular Weight: 1650.31 g/mol
• Exact Mass: 1648.58
• IUPAC Name: [3-[4-[2-[3-[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(-c4cccc(-c5ccccc5-c5nc(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)nc(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)n5)c4)nc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)n3)c2)cc1
• InChI: InChI=1S/C114H84N6Si4/c1-13-50-91(51-14-1)121(92-52-15-2-16-53-92,93-54-17-3-18-55-93)103-74-40-46-87(81-103)110-115-109(116-111(117-110)88-47-41-75-104(82-88)122(94-56-19-4-20-57-94,95-58-21-5-22-59-95)96-60-23-6-24-61-96)86-45-39-44-85(80-86)107-78-37-38-79-108(107)114-119-112(89-48-42-76-105(83-89)123(97-62-25-7-26-63-97,98-64-27-8-28-65-98)99-66-29-9-30-67-99)118-113(120-114)90-49-43-77-106(84-90)124(100-68-31-10-32-69-100,101-70-33-11-34-71-101)102-72-35-12-36-73-102/h1-84H
• InChIKey: PCAOGIVZHNXFBS-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-[2-[3-[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-[2-[3-[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 161006007) is [3-[4-[2-[3-[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-[2-[3-[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-[2-[3-[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(-c4cccc(-c5ccccc5-c5nc(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)nc(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)n5)c4)nc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)n3)c2)cc1.

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

What are the key properties of [3-[4-[2-[3-[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-[2-[3-[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-[2-[3-[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 161006007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).