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

C49H35N3Si — CID 158350356

IUPAC2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-4-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC[Si]1(C)c2cc3ccccc3cc2-c2cccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)c5ccccc45)n3)c21
InChIInChI=1S/C49H35N3Si/c1-53(2)45-31-37-19-10-9-18-36(37)30-44(45)41-22-13-23-43(46(41)53)49-51-47(35-26-24-33(25-27-35)32-14-5-3-6-15-32)50-48(52-49)42-29-28-38(34-16-7-4-8-17-34)39-20-11-12-21-40(39)42/h3-31H,1-2H3
InChIKeyXPQALXZUKXWQRH-UHFFFAOYSA-N
MW693.93 g/mol
LogP11.32
Rot. Bonds5

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

2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-4-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 158350356) has the molecular formula C49H35N3Si and a molecular weight of 693.93 g/mol. Its IUPAC name is 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-4-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-4-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID158350356
Molecular FormulaC49H35N3Si
Molecular Weight693.93 g/mol
Exact Mass693.26
IUPAC Name2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-4-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC[Si]1(C)c2cc3ccccc3cc2-c2cccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)c5ccccc45)n3)c21
InChIInChI=1S/C49H35N3Si/c1-53(2)45-31-37-19-10-9-18-36(37)30-44(45)41-22-13-23-43(46(41)53)49-51-47(35-26-24-33(25-27-35)32-14-5-3-6-15-32)50-48(52-49)42-29-28-38(34-16-7-4-8-17-34)39-20-11-12-21-40(39)42/h3-31H,1-2H3
InChIKeyXPQALXZUKXWQRH-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-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-(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-10-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 159705079
2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 157199646
2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 159472836
2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-8-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 160898852
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302511
2-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180017
2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164969936
2-(2,5-diphenylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297414
15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 140785869

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-4-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 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) is 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-4-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-4-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-4-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine is C[Si]1(C)c2cc3ccccc3cc2-c2cccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)c5ccccc45)n3)c21.
What is the InChIKey of 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-4-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is XPQALXZUKXWQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3Si/c1-53(2)45-31-37-19-10-9-18-36(37)30-44(45)41-22-13-23-43(46(41)53)49-51-47(35-26-24-33(25-27-35)32-14-5-3-6-15-32)50-48(52-49)42-29-28-38(34-16-7-4-8-17-34)39-20-11-12-21-40(39)42/h3-31H,1-2H3.
What are the key properties of 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-4-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-4-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-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-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-4-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 158350356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).