8-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole

C42H24N4OSe — CID 168739874

IUPAC8-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole
SMILESc1ccc(-c2nc3ccc4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6cccc7oc8ccccc8c67)n5)cc4c3[se]2)cc1
InChIInChI=1S/C42H24N4OSe/c1-2-10-27(11-3-1)42-43-34-22-21-26-18-20-30(24-33(26)38(34)48-42)40-44-39(29-19-17-25-9-4-5-12-28(25)23-29)45-41(46-40)32-14-8-16-36-37(32)31-13-6-7-15-35(31)47-36/h1-24H
InChIKeyMBRHBKXVDSBQPD-UHFFFAOYSA-N
MW679.64 g/mol
LogP10.35
Rot. Bonds4

About 8-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole

8-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole (PubChem CID 168739874) has the molecular formula C42H24N4OSe and a molecular weight of 679.64 g/mol. Its IUPAC name is 8-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole.

Molecular Properties

Compound Name8-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole
PubChem CID168739874
Molecular FormulaC42H24N4OSe
Molecular Weight679.64 g/mol
Exact Mass680.11
IUPAC Name8-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole
SMILESc1ccc(-c2nc3ccc4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6cccc7oc8ccccc8c67)n5)cc4c3[se]2)cc1
InChIInChI=1S/C42H24N4OSe/c1-2-10-27(11-3-1)42-43-34-22-21-26-18-20-30(24-33(26)38(34)48-42)40-44-39(29-19-17-25-9-4-5-12-28(25)23-29)45-41(46-40)32-14-8-16-36-37(32)31-13-6-7-15-35(31)47-36/h1-24H
InChIKeyMBRHBKXVDSBQPD-UHFFFAOYSA-N
XLogP10.35
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.64
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164737117
2-dibenzofuran-1-yl-4-[3-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 176766280
2-naphthalen-2-yl-4-(8-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741491
2-(8-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742412
7-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole
CID 168739820
2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 146918323
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 171607648
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743692

Frequently Asked Questions

What is the IUPAC name of 8-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole?
The IUPAC name of 8-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole (CID 168739874) is 8-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole.
What is the SMILES notation for 8-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole?
The canonical SMILES for 8-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole is c1ccc(-c2nc3ccc4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6cccc7oc8ccccc8c67)n5)cc4c3[se]2)cc1.
What is the InChIKey of 8-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole?
The InChIKey is MBRHBKXVDSBQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4OSe/c1-2-10-27(11-3-1)42-43-34-22-21-26-18-20-30(24-33(26)38(34)48-42)40-44-39(29-19-17-25-9-4-5-12-28(25)23-29)45-41(46-40)32-14-8-16-36-37(32)31-13-6-7-15-35(31)47-36/h1-24H.
What are the key properties of 8-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole?
8-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole has a molecular weight of 679.64 g/mol, XLogP of 10.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole is sourced from PubChem (CID 168739874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).