2-[10-(5-methyl-5-phenylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine

C48H33N3Si — CID 148649418

IUPAC2-[10-(5-methyl-5-phenylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine
SMILESC[Si]1(c2ccccc2)c2ccccc2-c2cccc(-c3c4ccccc4c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)c21
InChIInChI=1S/C48H33N3Si/c1-52(34-22-9-4-10-23-34)42-31-16-15-24-35(42)40-29-17-30-41(45(40)52)43-36-25-11-13-27-38(36)44(39-28-14-12-26-37(39)43)48-50-46(32-18-5-2-6-19-32)49-47(51-48)33-20-7-3-8-21-33/h2-31H,1H3
InChIKeyNLQASDPUIXRMET-UHFFFAOYSA-N
MW679.90 g/mol
LogP9.93
Rot. Bonds5

About 2-[10-(5-methyl-5-phenylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine

2-[10-(5-methyl-5-phenylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 148649418) has the molecular formula C48H33N3Si and a molecular weight of 679.90 g/mol. Its IUPAC name is 2-[10-(5-methyl-5-phenylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[10-(5-methyl-5-phenylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID148649418
Molecular FormulaC48H33N3Si
Molecular Weight679.90 g/mol
Exact Mass679.24
IUPAC Name2-[10-(5-methyl-5-phenylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine
SMILESC[Si]1(c2ccccc2)c2ccccc2-c2cccc(-c3c4ccccc4c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)c21
InChIInChI=1S/C48H33N3Si/c1-52(34-22-9-4-10-23-34)42-31-16-15-24-35(42)40-29-17-30-41(45(40)52)43-36-25-11-13-27-38(36)44(39-28-14-12-26-37(39)43)48-50-46(32-18-5-2-6-19-32)49-47(51-48)33-20-7-3-8-21-33/h2-31H,1H3
InChIKeyNLQASDPUIXRMET-UHFFFAOYSA-N
XLogP9.93
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.90
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[10-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine
CID 155787263
4-[10-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 155787427
2,4-bis(5,5-dimethyl-3-phenylbenzo[b][1]benzosilol-4-yl)-6-phenyl-1,3,5-triazine
CID 156661404
2-phenyl-4-(4-phenylphenyl)-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine
CID 153302047
2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155787192
2,4-bis(5,5-dimethyl-4-phenylbenzo[b][1]benzosilol-3-yl)-6-phenyl-1,3,5-triazine
CID 156661346
4-[3-[3-(5-methyl-5-phenylbenzo[b][1]benzosilol-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 155787330
2,4-diphenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine
CID 58454367
2-(21,21-dimethyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 160885825
2-[3-[3-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787247
2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine
CID 176643494
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

Frequently Asked Questions

What is the IUPAC name of 2-[10-(5-methyl-5-phenylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[10-(5-methyl-5-phenylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine (CID 148649418) is 2-[10-(5-methyl-5-phenylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[10-(5-methyl-5-phenylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[10-(5-methyl-5-phenylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine is C[Si]1(c2ccccc2)c2ccccc2-c2cccc(-c3c4ccccc4c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)c21.
What is the InChIKey of 2-[10-(5-methyl-5-phenylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is NLQASDPUIXRMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3Si/c1-52(34-22-9-4-10-23-34)42-31-16-15-24-35(42)40-29-17-30-41(45(40)52)43-36-25-11-13-27-38(36)44(39-28-14-12-26-37(39)43)48-50-46(32-18-5-2-6-19-32)49-47(51-48)33-20-7-3-8-21-33/h2-31H,1H3.
What are the key properties of 2-[10-(5-methyl-5-phenylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine?
2-[10-(5-methyl-5-phenylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 679.90 g/mol, XLogP of 9.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(5-methyl-5-phenylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 148649418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).