[3-[2-(5,6-diphenyltriazin-4-yl)phenyl]-4-(2-phenylphenyl)selenophen-2-yl]-selenophen-2-yldiazene

C41H27N5Se2 — CID 175869265

IUPAC[3-[2-(5,6-diphenyltriazin-4-yl)phenyl]-4-(2-phenylphenyl)selenophen-2-yl]-selenophen-2-yldiazene
SMILESc1ccc(-c2ccccc2-c2c[se]c(N=Nc3ccc[se]3)c2-c2ccccc2-c2nnnc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C41H27N5Se2/c1-4-15-28(16-5-1)31-21-10-11-22-32(31)35-27-48-41(45-42-36-25-14-26-47-36)38(35)33-23-12-13-24-34(33)40-37(29-17-6-2-7-18-29)39(43-46-44-40)30-19-8-3-9-20-30/h1-27H
InChIKeyRNJACXVXAOZEJI-UHFFFAOYSA-N
MW747.62 g/mol
LogP10.40
Rot. Bonds8

About [3-[2-(5,6-diphenyltriazin-4-yl)phenyl]-4-(2-phenylphenyl)selenophen-2-yl]-selenophen-2-yldiazene

[3-[2-(5,6-diphenyltriazin-4-yl)phenyl]-4-(2-phenylphenyl)selenophen-2-yl]-selenophen-2-yldiazene (PubChem CID 175869265) has the molecular formula C41H27N5Se2 and a molecular weight of 747.62 g/mol. Its IUPAC name is [3-[2-(5,6-diphenyltriazin-4-yl)phenyl]-4-(2-phenylphenyl)selenophen-2-yl]-selenophen-2-yldiazene.

Molecular Properties

Compound Name[3-[2-(5,6-diphenyltriazin-4-yl)phenyl]-4-(2-phenylphenyl)selenophen-2-yl]-selenophen-2-yldiazene
PubChem CID175869265
Molecular FormulaC41H27N5Se2
Molecular Weight747.62 g/mol
Exact Mass749.06
IUPAC Name[3-[2-(5,6-diphenyltriazin-4-yl)phenyl]-4-(2-phenylphenyl)selenophen-2-yl]-selenophen-2-yldiazene
SMILESc1ccc(-c2ccccc2-c2c[se]c(N=Nc3ccc[se]3)c2-c2ccccc2-c2nnnc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C41H27N5Se2/c1-4-15-28(16-5-1)31-21-10-11-22-32(31)35-27-48-41(45-42-36-25-14-26-47-36)38(35)33-23-12-13-24-34(33)40-37(29-17-6-2-7-18-29)39(43-46-44-40)30-19-8-3-9-20-30/h1-27H
InChIKeyRNJACXVXAOZEJI-UHFFFAOYSA-N
XLogP10.40
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.62
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine
CID 171060190
4,5-diphenyl-6-[2-[4-phenyl-2,3,6-tris(2-phenylphenyl)dibenzofuran-1-yl]phenyl]triazine
CID 175875594
4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine
CID 175594594
4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine
CID 166133463
4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine
CID 166135108
4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine
CID 166133514
4,5-diphenyl-6-(2-phosphorosophenyl)triazine
CID 170309692
5-phenyl-4-(2-phenylphenyl)-6-[3-phenyl-6-(2-phenylphenyl)-2-[2-(2-phenylphenyl)dibenzoselenophen-1-yl]phenyl]triazine
CID 175828137
4,5-diphenyl-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166133527
4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 166133631
5-(4-methylphenyl)-4,6-diphenyltriazine
CID 13483660
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 172700237

Frequently Asked Questions

What is the IUPAC name of [3-[2-(5,6-diphenyltriazin-4-yl)phenyl]-4-(2-phenylphenyl)selenophen-2-yl]-selenophen-2-yldiazene?
The IUPAC name of [3-[2-(5,6-diphenyltriazin-4-yl)phenyl]-4-(2-phenylphenyl)selenophen-2-yl]-selenophen-2-yldiazene (CID 175869265) is [3-[2-(5,6-diphenyltriazin-4-yl)phenyl]-4-(2-phenylphenyl)selenophen-2-yl]-selenophen-2-yldiazene.
What is the SMILES notation for [3-[2-(5,6-diphenyltriazin-4-yl)phenyl]-4-(2-phenylphenyl)selenophen-2-yl]-selenophen-2-yldiazene?
The canonical SMILES for [3-[2-(5,6-diphenyltriazin-4-yl)phenyl]-4-(2-phenylphenyl)selenophen-2-yl]-selenophen-2-yldiazene is c1ccc(-c2ccccc2-c2c[se]c(N=Nc3ccc[se]3)c2-c2ccccc2-c2nnnc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of [3-[2-(5,6-diphenyltriazin-4-yl)phenyl]-4-(2-phenylphenyl)selenophen-2-yl]-selenophen-2-yldiazene?
The InChIKey is RNJACXVXAOZEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N5Se2/c1-4-15-28(16-5-1)31-21-10-11-22-32(31)35-27-48-41(45-42-36-25-14-26-47-36)38(35)33-23-12-13-24-34(33)40-37(29-17-6-2-7-18-29)39(43-46-44-40)30-19-8-3-9-20-30/h1-27H.
What are the key properties of [3-[2-(5,6-diphenyltriazin-4-yl)phenyl]-4-(2-phenylphenyl)selenophen-2-yl]-selenophen-2-yldiazene?
[3-[2-(5,6-diphenyltriazin-4-yl)phenyl]-4-(2-phenylphenyl)selenophen-2-yl]-selenophen-2-yldiazene has a molecular weight of 747.62 g/mol, XLogP of 10.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(5,6-diphenyltriazin-4-yl)phenyl]-4-(2-phenylphenyl)selenophen-2-yl]-selenophen-2-yldiazene is sourced from PubChem (CID 175869265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).