2-(4-dibenzoselenophen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine

C45H27N3Se — CID 164943631

IUPAC2-(4-dibenzoselenophen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5cccc6c5[se]c5ccccc56)c5ccccc45)n3)ccc2c1
InChIInChI=1S/C45H27N3Se/c1-3-12-30-26-32(22-20-28(30)10-1)43-46-44(33-23-21-29-11-2-4-13-31(29)27-33)48-45(47-43)40-25-24-36(34-14-5-6-15-35(34)40)38-17-9-18-39-37-16-7-8-19-41(37)49-42(38)39/h1-27H
InChIKeyFPVAJFHFEPIOSH-UHFFFAOYSA-N
MW688.69 g/mol
LogP11.36
Rot. Bonds4

About 2-(4-dibenzoselenophen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-(4-dibenzoselenophen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 164943631) has the molecular formula C45H27N3Se and a molecular weight of 688.69 g/mol. Its IUPAC name is 2-(4-dibenzoselenophen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzoselenophen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID164943631
Molecular FormulaC45H27N3Se
Molecular Weight688.69 g/mol
Exact Mass689.14
IUPAC Name2-(4-dibenzoselenophen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5cccc6c5[se]c5ccccc56)c5ccccc45)n3)ccc2c1
InChIInChI=1S/C45H27N3Se/c1-3-12-30-26-32(22-20-28(30)10-1)43-46-44(33-23-21-29-11-2-4-13-31(29)27-33)48-45(47-43)40-25-24-36(34-14-5-6-15-35(34)40)38-17-9-18-39-37-16-7-8-19-41(37)49-42(38)39/h1-27H
InChIKeyFPVAJFHFEPIOSH-UHFFFAOYSA-N
XLogP11.36
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.69
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 164943600
2-dibenzoselenophen-4-yl-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164943489
2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 174244399
2,4-diphenyl-6-[5-(6-phenyldibenzoselenophen-4-yl)naphthalen-2-yl]-1,3,5-triazine
CID 164943527
2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 126681837
2-dibenzoselenophen-4-yl-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[6-(4-phenylnaphthalen-2-yl)dibenzoselenophen-4-yl]-1,3,5-triazine;2-(6-naphthalen-2-yldibenzoselenophen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(6-naphthalen-2-yldibenzoselenophen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 167575606
2-naphthalen-1-yl-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 167133977
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-[2-(2-naphthalen-1-ylphenyl)phenyl]-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076866
2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 164745897
2-naphthalen-1-yl-4-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174244397
CID 164943605
CID 164943605
2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-(6-phenyldibenzoselenophen-1-yl)naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[5-(6-phenyldibenzoselenophen-3-yl)naphthalen-1-yl]-1,3,5-triazine
CID 167620138

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzoselenophen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(4-dibenzoselenophen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 164943631) is 2-(4-dibenzoselenophen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzoselenophen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzoselenophen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5cccc6c5[se]c5ccccc56)c5ccccc45)n3)ccc2c1.
What is the InChIKey of 2-(4-dibenzoselenophen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is FPVAJFHFEPIOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3Se/c1-3-12-30-26-32(22-20-28(30)10-1)43-46-44(33-23-21-29-11-2-4-13-31(29)27-33)48-45(47-43)40-25-24-36(34-14-5-6-15-35(34)40)38-17-9-18-39-37-16-7-8-19-41(37)49-42(38)39/h1-27H.
What are the key properties of 2-(4-dibenzoselenophen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-(4-dibenzoselenophen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 688.69 g/mol, XLogP of 11.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzoselenophen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 164943631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).