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

C59H43N3Si — CID 155787052

IUPAC2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESC[Si]1(C)c2ccccc2-c2cccc(-c3cccc(-c4cccc(-c5ccc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc(-c8ccccc8)c7)n6)cc5)c4)c3)c21
InChIInChI=1S/C59H43N3Si/c1-63(2)55-31-10-9-28-53(55)54-30-15-29-52(56(54)63)49-25-12-24-48(37-49)47-23-11-20-44(36-47)42-32-34-43(35-33-42)57-60-58(50-26-13-21-45(38-50)40-16-5-3-6-17-40)62-59(61-57)51-27-14-22-46(39-51)41-18-7-4-8-19-41/h3-39H,1-2H3
InChIKeyACOUKDDASLHTQY-UHFFFAOYSA-N
MW822.10 g/mol
LogP14.01
Rot. Bonds8

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

2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine (PubChem CID 155787052) has the molecular formula C59H43N3Si and a molecular weight of 822.10 g/mol. Its IUPAC name is 2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
PubChem CID155787052
Molecular FormulaC59H43N3Si
Molecular Weight822.10 g/mol
Exact Mass821.32
IUPAC Name2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESC[Si]1(C)c2ccccc2-c2cccc(-c3cccc(-c4cccc(-c5ccc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc(-c8ccccc8)c7)n6)cc5)c4)c3)c21
InChIInChI=1S/C59H43N3Si/c1-63(2)55-31-10-9-28-53(55)54-30-15-29-52(56(54)63)49-25-12-24-48(37-49)47-23-11-20-44(36-47)42-32-34-43(35-33-42)57-60-58(50-26-13-21-45(38-50)40-16-5-3-6-17-40)62-59(61-57)51-27-14-22-46(39-51)41-18-7-4-8-19-41/h3-39H,1-2H3
InChIKeyACOUKDDASLHTQY-UHFFFAOYSA-N
XLogP14.01
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.10
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine
CID 140747498
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
4-[3-(3,5-diphenylphenyl)phenyl]-5,5-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140763959
5,5-dimethyl-4-[3-(3-phenylphenyl)phenyl]-2-[3-[3-(3-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140763874
2-[4-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787156
2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 158183226
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-dimethyl-3-phenylbenzo[b][1]benzosilol-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155787127
4-(3,5-diphenylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine
CID 140763856
2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-8-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-9-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-10-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 158802395
4-[3,5-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole
CID 59133577
2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 157199646

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine (CID 155787052) is 2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine is C[Si]1(C)c2ccccc2-c2cccc(-c3cccc(-c4cccc(-c5ccc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc(-c8ccccc8)c7)n6)cc5)c4)c3)c21.
What is the InChIKey of 2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is ACOUKDDASLHTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43N3Si/c1-63(2)55-31-10-9-28-53(55)54-30-15-29-52(56(54)63)49-25-12-24-48(37-49)47-23-11-20-44(36-47)42-32-34-43(35-33-42)57-60-58(50-26-13-21-45(38-50)40-16-5-3-6-17-40)62-59(61-57)51-27-14-22-46(39-51)41-18-7-4-8-19-41/h3-39H,1-2H3.
What are the key properties of 2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 822.10 g/mol, XLogP of 14.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155787052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).