8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-ylbenzo[g][1,3]benzoselenazole

C42H26N4Se — CID 168740108

IUPAC8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-ylbenzo[g][1,3]benzoselenazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccc6nc(-c7ccc8ccccc8c7)[se]c6c5c4)c3)n2)cc1
InChIInChI=1S/C42H26N4Se/c1-3-11-29(12-4-1)39-44-40(30-13-5-2-6-14-30)46-41(45-39)34-17-9-16-32(24-34)33-20-19-28-22-23-37-38(36(28)26-33)47-42(43-37)35-21-18-27-10-7-8-15-31(27)25-35/h1-26H
InChIKeyCGRYTHLBKDMOKI-UHFFFAOYSA-N
MW665.66 g/mol
LogP10.12
Rot. Bonds5

About 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-ylbenzo[g][1,3]benzoselenazole

8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-ylbenzo[g][1,3]benzoselenazole (PubChem CID 168740108) has the molecular formula C42H26N4Se and a molecular weight of 665.66 g/mol. Its IUPAC name is 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-ylbenzo[g][1,3]benzoselenazole.

Molecular Properties

Compound Name8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-ylbenzo[g][1,3]benzoselenazole
PubChem CID168740108
Molecular FormulaC42H26N4Se
Molecular Weight665.66 g/mol
Exact Mass666.13
IUPAC Name8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-ylbenzo[g][1,3]benzoselenazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccc6nc(-c7ccc8ccccc8c7)[se]c6c5c4)c3)n2)cc1
InChIInChI=1S/C42H26N4Se/c1-3-11-29(12-4-1)39-44-40(30-13-5-2-6-14-30)46-41(45-39)34-17-9-16-32(24-34)33-20-19-28-22-23-37-38(36(28)26-33)47-42(43-37)35-21-18-27-10-7-8-15-31(27)25-35/h1-26H
InChIKeyCGRYTHLBKDMOKI-UHFFFAOYSA-N
XLogP10.12
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.66
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-ylbenzo[g][1,3]benzoselenazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-8-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoselenazole
CID 168740124
7-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole
CID 168739651
8-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole
CID 168739874
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154626597
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115
2-naphthalen-2-yl-4-phenyl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606651
2-(3-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 122416272
2-[3-[3-[3-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311605
2,4-dinaphthalen-2-yl-6-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 164745871
8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole
CID 168740232
2-(6-phenanthren-3-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 170179950

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-ylbenzo[g][1,3]benzoselenazole?
The IUPAC name of 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-ylbenzo[g][1,3]benzoselenazole (CID 168740108) is 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-ylbenzo[g][1,3]benzoselenazole.
What is the SMILES notation for 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-ylbenzo[g][1,3]benzoselenazole?
The canonical SMILES for 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-ylbenzo[g][1,3]benzoselenazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccc6nc(-c7ccc8ccccc8c7)[se]c6c5c4)c3)n2)cc1.
What is the InChIKey of 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-ylbenzo[g][1,3]benzoselenazole?
The InChIKey is CGRYTHLBKDMOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4Se/c1-3-11-29(12-4-1)39-44-40(30-13-5-2-6-14-30)46-41(45-39)34-17-9-16-32(24-34)33-20-19-28-22-23-37-38(36(28)26-33)47-42(43-37)35-21-18-27-10-7-8-15-31(27)25-35/h1-26H.
What are the key properties of 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-ylbenzo[g][1,3]benzoselenazole?
8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-ylbenzo[g][1,3]benzoselenazole has a molecular weight of 665.66 g/mol, XLogP of 10.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-ylbenzo[g][1,3]benzoselenazole is sourced from PubChem (CID 168740108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).