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

C53H39N3Si — CID 155787173

IUPAC2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
SMILESCc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5-c5ccccc5)n4)ccc32)cc1
InChIInChI=1S/C53H39N3Si/c1-36-22-28-43(29-23-36)57(44-30-24-37(2)25-31-44)49-21-13-12-20-45(49)48-35-42(27-33-50(48)57)52-54-51(40-18-10-5-11-19-40)55-53(56-52)46-32-26-41(38-14-6-3-7-15-38)34-47(46)39-16-8-4-9-17-39/h3-35H,1-2H3
InChIKeyJBJKJGSTEHLMIQ-UHFFFAOYSA-N
MW746.00 g/mol
LogP10.18
Rot. Bonds7

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

2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 155787173) has the molecular formula C53H39N3Si and a molecular weight of 746.00 g/mol. Its IUPAC name is 2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID155787173
Molecular FormulaC53H39N3Si
Molecular Weight746.00 g/mol
Exact Mass745.29
IUPAC Name2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
SMILESCc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5-c5ccccc5)n4)ccc32)cc1
InChIInChI=1S/C53H39N3Si/c1-36-22-28-43(29-23-36)57(44-30-24-37(2)25-31-44)49-21-13-12-20-45(49)48-35-42(27-33-50(48)57)52-54-51(40-18-10-5-11-19-40)55-53(56-52)46-32-26-41(38-14-6-3-7-15-38)34-47(46)39-16-8-4-9-17-39/h3-35H,1-2H3
InChIKeyJBJKJGSTEHLMIQ-UHFFFAOYSA-N
XLogP10.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.00
LogP ≤ 510.18
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-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155787204
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-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-1-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 161000518
2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 155787067
2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155787215
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052536
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052556
2-[4-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787156
2-[4-(5,5-dinaphthalen-2-ylbenzo[b][1]benzosilol-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787337
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052413
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
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(2-phenylphenyl)carbazole
CID 177132563

Frequently Asked Questions

What is the IUPAC name of 2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine (CID 155787173) is 2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine is Cc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5-c5ccccc5)n4)ccc32)cc1.
What is the InChIKey of 2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is JBJKJGSTEHLMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N3Si/c1-36-22-28-43(29-23-36)57(44-30-24-37(2)25-31-44)49-21-13-12-20-45(49)48-35-42(27-33-50(48)57)52-54-51(40-18-10-5-11-19-40)55-53(56-52)46-32-26-41(38-14-6-3-7-15-38)34-47(46)39-16-8-4-9-17-39/h3-35H,1-2H3.
What are the key properties of 2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine?
2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 746.00 g/mol, XLogP of 10.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 155787173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).