2-phenyl-8-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoselenazole

C42H26N4Se — CID 168740124

IUPAC2-phenyl-8-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoselenazole
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5ccc6ccc7nc(-c8ccccc8)[se]c7c6c5)n4)ccc3c2)cc1
InChIInChI=1S/C42H26N4Se/c1-4-10-27(11-5-1)31-17-18-33-25-34(21-19-32(33)24-31)40-44-39(29-12-6-2-7-13-29)45-41(46-40)35-20-16-28-22-23-37-38(36(28)26-35)47-42(43-37)30-14-8-3-9-15-30/h1-26H
InChIKeyNODHJXKTZSPDEM-UHFFFAOYSA-N
MW665.66 g/mol
LogP10.12
Rot. Bonds5

About 2-phenyl-8-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoselenazole

2-phenyl-8-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoselenazole (PubChem CID 168740124) has the molecular formula C42H26N4Se and a molecular weight of 665.66 g/mol. Its IUPAC name is 2-phenyl-8-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoselenazole.

Molecular Properties

Compound Name2-phenyl-8-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoselenazole
PubChem CID168740124
Molecular FormulaC42H26N4Se
Molecular Weight665.66 g/mol
Exact Mass666.13
IUPAC Name2-phenyl-8-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoselenazole
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5ccc6ccc7nc(-c8ccccc8)[se]c7c6c5)n4)ccc3c2)cc1
InChIInChI=1S/C42H26N4Se/c1-4-10-27(11-5-1)31-17-18-33-25-34(21-19-32(33)24-31)40-44-39(29-12-6-2-7-13-29)45-41(46-40)35-20-16-28-22-23-37-38(36(28)26-35)47-42(43-37)30-14-8-3-9-15-30/h1-26H
InChIKeyNODHJXKTZSPDEM-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'}

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Related Compounds

8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-ylbenzo[g][1,3]benzoselenazole
CID 168740108
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
8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole
CID 168740232
2-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 18787948
2,4-diphenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166737815
2-(6-phenanthren-3-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 170179950
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
2-[3-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139339089
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
2-naphthalen-2-yl-4-phenyl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606651
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-8-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoselenazole?
The IUPAC name of 2-phenyl-8-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoselenazole (CID 168740124) is 2-phenyl-8-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoselenazole.
What is the SMILES notation for 2-phenyl-8-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoselenazole?
The canonical SMILES for 2-phenyl-8-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoselenazole is c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5ccc6ccc7nc(-c8ccccc8)[se]c7c6c5)n4)ccc3c2)cc1.
What is the InChIKey of 2-phenyl-8-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoselenazole?
The InChIKey is NODHJXKTZSPDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4Se/c1-4-10-27(11-5-1)31-17-18-33-25-34(21-19-32(33)24-31)40-44-39(29-12-6-2-7-13-29)45-41(46-40)35-20-16-28-22-23-37-38(36(28)26-35)47-42(43-37)30-14-8-3-9-15-30/h1-26H.
What are the key properties of 2-phenyl-8-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoselenazole?
2-phenyl-8-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]benzo[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 2-phenyl-8-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]benzo[g][1,3]benzoselenazole is sourced from PubChem (CID 168740124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).