5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline

C47H36N4Si — CID 153460425

IUPAC5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
SMILESC[Si]1(C)c2ccccc2N(c2ccc(-c3ccccc3-c3ccccc3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc21
InChIInChI=1S/C47H36N4Si/c1-52(2)43-28-16-14-26-41(43)51(42-27-15-17-29-44(42)52)40-31-30-36(38-25-13-12-24-37(38)33-18-6-3-7-19-33)32-39(40)47-49-45(34-20-8-4-9-21-34)48-46(50-47)35-22-10-5-11-23-35/h3-32H,1-2H3
InChIKeyYYHJNWXURNBBJH-UHFFFAOYSA-N
MW684.92 g/mol
LogP10.81
Rot. Bonds6

About 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline

5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline (PubChem CID 153460425) has the molecular formula C47H36N4Si and a molecular weight of 684.92 g/mol. Its IUPAC name is 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
PubChem CID153460425
Molecular FormulaC47H36N4Si
Molecular Weight684.92 g/mol
Exact Mass684.27
IUPAC Name5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
SMILESC[Si]1(C)c2ccccc2N(c2ccc(-c3ccccc3-c3ccccc3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc21
InChIInChI=1S/C47H36N4Si/c1-52(2)43-28-16-14-26-41(43)51(42-27-15-17-29-44(42)52)40-31-30-36(38-25-13-12-24-37(38)33-18-6-3-7-19-33)32-39(40)47-49-45(34-20-8-4-9-21-34)48-46(50-47)35-22-10-5-11-23-35/h3-32H,1-2H3
InChIKeyYYHJNWXURNBBJH-UHFFFAOYSA-N
XLogP10.81
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.92
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787156
5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine
CID 154597654
5-(4,6-diphenylpyrimidin-2-yl)-10-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine
CID 154597670
2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155787296
5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine
CID 154597840
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 170111574
5-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-3,7-bis(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 140793863
2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 159472836
2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171052509
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8,12-diphenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 170183676
2-(5,5-dimethyl-3-phenylbenzo[b][1]benzosilol-2-yl)-4-(5,5-dimethyl-4-phenylbenzo[b][1]benzosilol-2-yl)-6-phenyl-1,3,5-triazine
CID 156661421
5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 140793735

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
The IUPAC name of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline (CID 153460425) is 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline.
What is the SMILES notation for 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
The canonical SMILES for 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline is C[Si]1(C)c2ccccc2N(c2ccc(-c3ccccc3-c3ccccc3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc21.
What is the InChIKey of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
The InChIKey is YYHJNWXURNBBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36N4Si/c1-52(2)43-28-16-14-26-41(43)51(42-27-15-17-29-44(42)52)40-31-30-36(38-25-13-12-24-37(38)33-18-6-3-7-19-33)32-39(40)47-49-45(34-20-8-4-9-21-34)48-46(50-47)35-22-10-5-11-23-35/h3-32H,1-2H3.
What are the key properties of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline has a molecular weight of 684.92 g/mol, XLogP of 10.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 153460425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).