7-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole

C44H26N4Se — CID 168739651

IUPAC7-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole
SMILESc1ccc(-c2nc(-c3ccc4c(ccc5nc(-c6ccccc6)[se]c54)c3)nc(-c3ccc4ccc5c6ccccc6ccc5c4c3)n2)cc1
InChIInChI=1S/C44H26N4Se/c1-3-10-29(11-4-1)41-46-42(32-19-21-35-31(25-32)20-24-39-40(35)49-44(45-39)30-12-5-2-6-13-30)48-43(47-41)33-16-15-28-18-22-36-34-14-8-7-9-27(34)17-23-37(36)38(28)26-33/h1-26H
InChIKeyLTDMZOIQIMPVRR-UHFFFAOYSA-N
MW689.68 g/mol
LogP10.76
Rot. Bonds4

About 7-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole

7-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole (PubChem CID 168739651) has the molecular formula C44H26N4Se and a molecular weight of 689.68 g/mol. Its IUPAC name is 7-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole.

Molecular Properties

Compound Name7-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole
PubChem CID168739651
Molecular FormulaC44H26N4Se
Molecular Weight689.68 g/mol
Exact Mass690.13
IUPAC Name7-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole
SMILESc1ccc(-c2nc(-c3ccc4c(ccc5nc(-c6ccccc6)[se]c54)c3)nc(-c3ccc4ccc5c6ccccc6ccc5c4c3)n2)cc1
InChIInChI=1S/C44H26N4Se/c1-3-10-29(11-4-1)41-46-42(32-19-21-35-31(25-32)20-24-39-40(35)49-44(45-39)30-12-5-2-6-13-30)48-43(47-41)33-16-15-28-18-22-36-34-14-8-7-9-27(34)17-23-37(36)38(28)26-33/h1-26H
InChIKeyLTDMZOIQIMPVRR-UHFFFAOYSA-N
XLogP10.76
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.68
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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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
8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-ylbenzo[g][1,3]benzoselenazole
CID 168740108
2,4-di(chrysen-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 157117117
2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 121287323
2-(6-phenanthren-3-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 170179950
2-chrysen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170131359
2-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164747995
2-phenanthren-2-yl-4-phenanthren-3-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598294
2-(3-chrysen-3-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(6-chrysen-3-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 167700070
2-chrysen-2-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 168739839
8-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole
CID 168739874
2-phenanthren-2-yl-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 171598299

Frequently Asked Questions

What is the IUPAC name of 7-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole?
The IUPAC name of 7-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole (CID 168739651) is 7-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole.
What is the SMILES notation for 7-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole?
The canonical SMILES for 7-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole is c1ccc(-c2nc(-c3ccc4c(ccc5nc(-c6ccccc6)[se]c54)c3)nc(-c3ccc4ccc5c6ccccc6ccc5c4c3)n2)cc1.
What is the InChIKey of 7-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole?
The InChIKey is LTDMZOIQIMPVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4Se/c1-3-10-29(11-4-1)41-46-42(32-19-21-35-31(25-32)20-24-39-40(35)49-44(45-39)30-12-5-2-6-13-30)48-43(47-41)33-16-15-28-18-22-36-34-14-8-7-9-27(34)17-23-37(36)38(28)26-33/h1-26H.
What are the key properties of 7-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole?
7-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole has a molecular weight of 689.68 g/mol, XLogP of 10.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole is sourced from PubChem (CID 168739651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).