2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-10-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine

C49H35N3Si — CID 159705079

IUPAC2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-10-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
SMILESC[Si]1(C)c2c(-c3nc(-c4ccccc4-c4ccccc4)nc(-c4ccc(-c5ccccc5)c5ccccc45)n3)cccc2-c2ccc3ccccc3c21
InChIInChI=1S/C49H35N3Si/c1-53(2)45-37-22-10-9-20-34(37)28-29-41(45)40-26-15-27-44(46(40)53)49-51-47(42-25-14-11-21-35(42)32-16-5-3-6-17-32)50-48(52-49)43-31-30-36(33-18-7-4-8-19-33)38-23-12-13-24-39(38)43/h3-31H,1-2H3
InChIKeyQONSQVCHHBVCQC-UHFFFAOYSA-N
MW693.93 g/mol
LogP11.32
Rot. Bonds5

About 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-10-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine

2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-10-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 159705079) has the molecular formula C49H35N3Si and a molecular weight of 693.93 g/mol. Its IUPAC name is 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-10-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-10-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID159705079
Molecular FormulaC49H35N3Si
Molecular Weight693.93 g/mol
Exact Mass693.26
IUPAC Name2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-10-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
SMILESC[Si]1(C)c2c(-c3nc(-c4ccccc4-c4ccccc4)nc(-c4ccc(-c5ccccc5)c5ccccc45)n3)cccc2-c2ccc3ccccc3c21
InChIInChI=1S/C49H35N3Si/c1-53(2)45-37-22-10-9-20-34(37)28-29-41(45)40-26-15-27-44(46(40)53)49-51-47(42-25-14-11-21-35(42)32-16-5-3-6-17-32)50-48(52-49)43-31-30-36(33-18-7-4-8-19-33)38-23-12-13-24-39(38)43/h3-31H,1-2H3
InChIKeyQONSQVCHHBVCQC-UHFFFAOYSA-N
XLogP11.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.93
LogP ≤ 511.32
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-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-7-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 162047420
2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-4-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 158350356
2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-7-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 159195324
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
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176632742
2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 159472836
13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-15-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 140785886
2-phenanthren-4-yl-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 122416284
2-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180017
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076826
2-(2,5-diphenylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297414

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-10-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-10-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine (CID 159705079) is 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-10-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-10-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-10-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine is C[Si]1(C)c2c(-c3nc(-c4ccccc4-c4ccccc4)nc(-c4ccc(-c5ccccc5)c5ccccc45)n3)cccc2-c2ccc3ccccc3c21.
What is the InChIKey of 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-10-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is QONSQVCHHBVCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3Si/c1-53(2)45-37-22-10-9-20-34(37)28-29-41(45)40-26-15-27-44(46(40)53)49-51-47(42-25-14-11-21-35(42)32-16-5-3-6-17-32)50-48(52-49)43-31-30-36(33-18-7-4-8-19-33)38-23-12-13-24-39(38)43/h3-31H,1-2H3.
What are the key properties of 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-10-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-10-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 693.93 g/mol, XLogP of 11.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-10-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 159705079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).