2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine

C57H39N3Si2 — CID 176643494

IUPAC2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc([Si]4(c5ccccc5)c5ccccc5-c5ccccc54)c3)nc(-c3cccc([Si]4(c5ccccc5)c5ccccc5-c5ccccc54)c3)n2)cc1
InChIInChI=1S/C57H39N3Si2/c1-4-20-40(21-5-1)55-58-56(41-22-18-28-45(38-41)61(43-24-6-2-7-25-43)51-34-14-10-30-47(51)48-31-11-15-35-52(48)61)60-57(59-55)42-23-19-29-46(39-42)62(44-26-8-3-9-27-44)53-36-16-12-32-49(53)50-33-13-17-37-54(50)62/h1-39H
InChIKeyOXXOXWBAVRFALO-UHFFFAOYSA-N
MW822.13 g/mol
LogP7.59
Rot. Bonds7

About 2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine

2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine (PubChem CID 176643494) has the molecular formula C57H39N3Si2 and a molecular weight of 822.13 g/mol. Its IUPAC name is 2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine
PubChem CID176643494
Molecular FormulaC57H39N3Si2
Molecular Weight822.13 g/mol
Exact Mass821.27
IUPAC Name2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc([Si]4(c5ccccc5)c5ccccc5-c5ccccc54)c3)nc(-c3cccc([Si]4(c5ccccc5)c5ccccc5-c5ccccc54)c3)n2)cc1
InChIInChI=1S/C57H39N3Si2/c1-4-20-40(21-5-1)55-58-56(41-22-18-28-45(38-41)61(43-24-6-2-7-25-43)51-34-14-10-30-47(51)48-31-11-15-35-52(48)61)60-57(59-55)42-23-19-29-46(39-42)62(44-26-8-3-9-27-44)53-36-16-12-32-49(53)50-33-13-17-37-54(50)62/h1-39H
InChIKeyOXXOXWBAVRFALO-UHFFFAOYSA-N
XLogP7.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.13
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787247
2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155787215
2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 155787067
2-(5-naphthalen-1-yl-5-phenylbenzo[b][1]benzosilol-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 155787286
2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155787192
2-[4-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-3-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155787135
2-[4-(5,5-dinaphthalen-2-ylbenzo[b][1]benzosilol-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787337
2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155787204
2-[3-[3-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 155787163
2-[3-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 155787059
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-diphenylbenzo[b][1]benzosilepin-9-yl]-4,6-diphenyl-1,3,5-triazine
CID 155647160
2-[2-(5,5-dinaphthalen-2-ylbenzo[b][1]benzosilol-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787397

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine (CID 176643494) is 2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3cccc([Si]4(c5ccccc5)c5ccccc5-c5ccccc54)c3)nc(-c3cccc([Si]4(c5ccccc5)c5ccccc5-c5ccccc54)c3)n2)cc1.
What is the InChIKey of 2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine?
The InChIKey is OXXOXWBAVRFALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3Si2/c1-4-20-40(21-5-1)55-58-56(41-22-18-28-45(38-41)61(43-24-6-2-7-25-43)51-34-14-10-30-47(51)48-31-11-15-35-52(48)61)60-57(59-55)42-23-19-29-46(39-42)62(44-26-8-3-9-27-44)53-36-16-12-32-49(53)50-33-13-17-37-54(50)62/h1-39H.
What are the key properties of 2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine?
2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine has a molecular weight of 822.13 g/mol, XLogP of 7.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 176643494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).