2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-1,3,5-triazine

C39H29N3Si — CID 166055433

IUPAC2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-1,3,5-triazine
SMILES[2H]c1cc(-c2c([2H])c([2H])c(-c3nc(-c4cccc5c4-c4cc6ccccc6cc4[Si]5(C)C)nc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])n3)c([2H])c2[2H])c([2H])c([2H])c1[2H]
InChIInChI=1S/C39H29N3Si/c1-43(2)34-19-11-18-32(36(34)33-24-30-16-9-10-17-31(30)25-35(33)43)39-41-37(28-14-7-4-8-15-28)40-38(42-39)29-22-20-27(21-23-29)26-12-5-3-6-13-26/h3-25H,1-2H3/i3D,4D,5D,6D,7D,8D,12D,14D,15D,20D,21D,22D,23D
InChIKeyGEFIEQXZRWMKKQ-KPVOYZSUSA-N
MW580.85 g/mol
LogP8.50
Rot. Bonds4

About 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-1,3,5-triazine

2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-1,3,5-triazine (PubChem CID 166055433) has the molecular formula C39H29N3Si and a molecular weight of 580.85 g/mol. Its IUPAC name is 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-1,3,5-triazine
PubChem CID166055433
Molecular FormulaC39H29N3Si
Molecular Weight580.85 g/mol
Exact Mass580.29
IUPAC Name2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-1,3,5-triazine
SMILES[2H]c1cc(-c2c([2H])c([2H])c(-c3nc(-c4cccc5c4-c4cc6ccccc6cc4[Si]5(C)C)nc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])n3)c([2H])c2[2H])c([2H])c([2H])c1[2H]
InChIInChI=1S/C39H29N3Si/c1-43(2)34-19-11-18-32(36(34)33-24-30-16-9-10-17-31(30)25-35(33)43)39-41-37(28-14-7-4-8-15-28)40-38(42-39)29-22-20-27(21-23-29)26-12-5-3-6-13-26/h3-25H,1-2H3/i3D,4D,5D,6D,7D,8D,12D,14D,15D,20D,21D,22D,23D
InChIKeyGEFIEQXZRWMKKQ-KPVOYZSUSA-N
XLogP8.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.85
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-chloro-4-naphthalen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 170691103
2-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 158183224
2-[4-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 170927900
2-(4-naphthalen-1-ylphenyl)-4-[3-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 166022217
2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine
CID 164970097
17,17-dimethyl-14-naphthalen-1-yl-12-(3-phenylphenyl)-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 140785734
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-(2-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 176831507
2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazine;2,4,6-tris(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 165016718
2-[3-(4-naphthalen-1-ylphenyl)phenyl]-4-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 169302456
12-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-14-phenyl-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 140785828
2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-2-yl)-4-(6-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 157359934

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-1,3,5-triazine (CID 166055433) is 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-1,3,5-triazine is [2H]c1cc(-c2c([2H])c([2H])c(-c3nc(-c4cccc5c4-c4cc6ccccc6cc4[Si]5(C)C)nc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])n3)c([2H])c2[2H])c([2H])c([2H])c1[2H].
What is the InChIKey of 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-1,3,5-triazine?
The InChIKey is GEFIEQXZRWMKKQ-KPVOYZSUSA-N. The full InChI is InChI=1S/C39H29N3Si/c1-43(2)34-19-11-18-32(36(34)33-24-30-16-9-10-17-31(30)25-35(33)43)39-41-37(28-14-7-4-8-15-28)40-38(42-39)29-22-20-27(21-23-29)26-12-5-3-6-13-26/h3-25H,1-2H3/i3D,4D,5D,6D,7D,8D,12D,14D,15D,20D,21D,22D,23D.
What are the key properties of 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-1,3,5-triazine?
2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-1,3,5-triazine has a molecular weight of 580.85 g/mol, XLogP of 8.50, 4 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-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 166055433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).