2-chrysen-1-yl-4-dibenzoselenophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(2-chrysen-2-ylphenyl)dibenzoselenophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-chrysen-2-yl-3-(6-phenyldibenzoselenophen-4-yl)quinoxaline

C140H84N8Se3 — CID 167709726

IUPAC2-chrysen-1-yl-4-dibenzoselenophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(2-chrysen-2-ylphenyl)dibenzoselenophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-chrysen-2-yl-3-(6-phenyldibenzoselenophen-4-yl)quinoxaline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5c4ccc4c6ccccc6ccc54)nc(-c4cccc5c4[se]c4ccccc45)n3)cc2)cc1.c1ccc(-c2cccc3c2[se]c2c(-c4nc5ccccc5nc4-c4ccc5c(ccc6c7ccccc7ccc56)c4)cccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3[se]c3c(-c5ccccc5-c5ccc6c(ccc7c8ccccc8ccc67)c5)cccc34)n2)cc1
InChIInChI=1S/C51H31N3Se.C45H27N3Se.C44H26N2Se/c1-3-14-33(15-4-1)49-52-50(34-16-5-2-6-17-34)54-51(53-49)46-24-12-23-45-44-22-11-21-43(47(44)55-48(45)46)40-20-10-9-19-38(40)35-26-28-39-36(31-35)27-30-41-37-18-8-7-13-32(37)25-29-42(39)41;1-2-10-28(11-3-1)29-20-22-31(23-21-29)43-46-44(48-45(47-43)40-18-9-16-38-37-14-6-7-19-41(37)49-42(38)40)39-17-8-15-33-35-25-24-30-12-4-5-13-32(30)34(35)26-27-36(33)39;1-2-10-27(11-3-1)33-14-8-15-36-37-16-9-17-38(44(37)47-43(33)36)42-41(45-39-18-6-7-19-40(39)46-42)30-22-23-32-29(26-30)21-25-34-31-13-5-4-12-28(31)20-24-35(32)34/h1-31H;1-27H;1-26H
InChIKeyZQFJJIOOOLWKTA-UHFFFAOYSA-N
MW2115.15 g/mol
LogP35.85
Rot. Bonds12

About 2-chrysen-1-yl-4-dibenzoselenophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(2-chrysen-2-ylphenyl)dibenzoselenophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-chrysen-2-yl-3-(6-phenyldibenzoselenophen-4-yl)quinoxaline

2-chrysen-1-yl-4-dibenzoselenophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(2-chrysen-2-ylphenyl)dibenzoselenophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-chrysen-2-yl-3-(6-phenyldibenzoselenophen-4-yl)quinoxaline (PubChem CID 167709726) has the molecular formula C140H84N8Se3 and a molecular weight of 2115.15 g/mol. Its IUPAC name is 2-chrysen-1-yl-4-dibenzoselenophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(2-chrysen-2-ylphenyl)dibenzoselenophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-chrysen-2-yl-3-(6-phenyldibenzoselenophen-4-yl)quinoxaline.

Molecular Properties

Compound Name2-chrysen-1-yl-4-dibenzoselenophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(2-chrysen-2-ylphenyl)dibenzoselenophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-chrysen-2-yl-3-(6-phenyldibenzoselenophen-4-yl)quinoxaline
PubChem CID167709726
Molecular FormulaC140H84N8Se3
Molecular Weight2115.15 g/mol
Exact Mass2116.43
IUPAC Name2-chrysen-1-yl-4-dibenzoselenophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(2-chrysen-2-ylphenyl)dibenzoselenophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-chrysen-2-yl-3-(6-phenyldibenzoselenophen-4-yl)quinoxaline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5c4ccc4c6ccccc6ccc54)nc(-c4cccc5c4[se]c4ccccc45)n3)cc2)cc1.c1ccc(-c2cccc3c2[se]c2c(-c4nc5ccccc5nc4-c4ccc5c(ccc6c7ccccc7ccc56)c4)cccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3[se]c3c(-c5ccccc5-c5ccc6c(ccc7c8ccccc8ccc67)c5)cccc34)n2)cc1
InChIInChI=1S/C51H31N3Se.C45H27N3Se.C44H26N2Se/c1-3-14-33(15-4-1)49-52-50(34-16-5-2-6-17-34)54-51(53-49)46-24-12-23-45-44-22-11-21-43(47(44)55-48(45)46)40-20-10-9-19-38(40)35-26-28-39-36(31-35)27-30-41-37-18-8-7-13-32(37)25-29-42(39)41;1-2-10-28(11-3-1)29-20-22-31(23-21-29)43-46-44(48-45(47-43)40-18-9-16-38-37-14-6-7-19-41(37)49-42(38)40)39-17-8-15-33-35-25-24-30-12-4-5-13-32(30)34(35)26-27-36(33)39;1-2-10-27(11-3-1)33-14-8-15-36-37-16-9-17-38(44(37)47-43(33)36)42-41(45-39-18-6-7-19-40(39)46-42)30-22-23-32-29(26-30)21-25-34-31-13-5-4-12-28(31)20-24-35(32)34/h1-31H;1-27H;1-26H
InChIKeyZQFJJIOOOLWKTA-UHFFFAOYSA-N
XLogP35.85
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms151
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002115.15
LogP ≤ 535.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-chrysen-1-yl-4-dibenzoselenophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(2-chrysen-2-ylphenyl)dibenzoselenophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-chrysen-2-yl-3-(6-phenyldibenzoselenophen-4-yl)quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-chrysen-2-yldibenzoselenophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 164943697
2-(6-chrysen-3-yldibenzoselenophen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-3-ylphenyl)-4-dibenzoselenophen-4-yl-6-phenyl-1,3,5-triazine
CID 167543310
CID 167685268
CID 167685268
2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 164943600
2,4-diphenyl-6-[5-(6-phenyldibenzoselenophen-4-yl)naphthalen-2-yl]-1,3,5-triazine
CID 164943527
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-dibenzoselenophen-4-yl-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164943489
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
2-(4-dibenzoselenophen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164943631
2-chrysen-2-yl-4-dibenzoselenophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-chrysen-2-yl-4-dibenzoselenophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-chrysen-2-yl-4-(1,2,3,6,7,8,9-heptadeuteriodibenzoselenophen-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 167670635
2-(6-chrysen-3-yl-1,2,3,7,8,9-hexadeuteriodibenzoselenophen-4-yl)-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4-dibenzoselenophen-4-yl-6-phenyl-1,3,5-triazine;2-(3-chrysen-3-ylphenyl)-4-dibenzoselenophen-4-yl-6-phenyl-1,3,5-triazine
CID 167690821
2-dibenzofuran-1-yl-4-phenyl-6-[6-(6-phenyldibenzoselenophen-4-yl)naphthalen-1-yl]-1,3,5-triazine
CID 164943663

Frequently Asked Questions

What is the IUPAC name of 2-chrysen-1-yl-4-dibenzoselenophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(2-chrysen-2-ylphenyl)dibenzoselenophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-chrysen-2-yl-3-(6-phenyldibenzoselenophen-4-yl)quinoxaline?
The IUPAC name of 2-chrysen-1-yl-4-dibenzoselenophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(2-chrysen-2-ylphenyl)dibenzoselenophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-chrysen-2-yl-3-(6-phenyldibenzoselenophen-4-yl)quinoxaline (CID 167709726) is 2-chrysen-1-yl-4-dibenzoselenophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(2-chrysen-2-ylphenyl)dibenzoselenophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-chrysen-2-yl-3-(6-phenyldibenzoselenophen-4-yl)quinoxaline.
What is the SMILES notation for 2-chrysen-1-yl-4-dibenzoselenophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(2-chrysen-2-ylphenyl)dibenzoselenophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-chrysen-2-yl-3-(6-phenyldibenzoselenophen-4-yl)quinoxaline?
The canonical SMILES for 2-chrysen-1-yl-4-dibenzoselenophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(2-chrysen-2-ylphenyl)dibenzoselenophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-chrysen-2-yl-3-(6-phenyldibenzoselenophen-4-yl)quinoxaline is c1ccc(-c2ccc(-c3nc(-c4cccc5c4ccc4c6ccccc6ccc54)nc(-c4cccc5c4[se]c4ccccc45)n3)cc2)cc1.c1ccc(-c2cccc3c2[se]c2c(-c4nc5ccccc5nc4-c4ccc5c(ccc6c7ccccc7ccc56)c4)cccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3[se]c3c(-c5ccccc5-c5ccc6c(ccc7c8ccccc8ccc67)c5)cccc34)n2)cc1.
What is the InChIKey of 2-chrysen-1-yl-4-dibenzoselenophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(2-chrysen-2-ylphenyl)dibenzoselenophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-chrysen-2-yl-3-(6-phenyldibenzoselenophen-4-yl)quinoxaline?
The InChIKey is ZQFJJIOOOLWKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3Se.C45H27N3Se.C44H26N2Se/c1-3-14-33(15-4-1)49-52-50(34-16-5-2-6-17-34)54-51(53-49)46-24-12-23-45-44-22-11-21-43(47(44)55-48(45)46)40-20-10-9-19-38(40)35-26-28-39-36(31-35)27-30-41-37-18-8-7-13-32(37)25-29-42(39)41;1-2-10-28(11-3-1)29-20-22-31(23-21-29)43-46-44(48-45(47-43)40-18-9-16-38-37-14-6-7-19-41(37)49-42(38)40)39-17-8-15-33-35-25-24-30-12-4-5-13-32(30)34(35)26-27-36(33)39;1-2-10-27(11-3-1)33-14-8-15-36-37-16-9-17-38(44(37)47-43(33)36)42-41(45-39-18-6-7-19-40(39)46-42)30-22-23-32-29(26-30)21-25-34-31-13-5-4-12-28(31)20-24-35(32)34/h1-31H;1-27H;1-26H.
What are the key properties of 2-chrysen-1-yl-4-dibenzoselenophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(2-chrysen-2-ylphenyl)dibenzoselenophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-chrysen-2-yl-3-(6-phenyldibenzoselenophen-4-yl)quinoxaline?
2-chrysen-1-yl-4-dibenzoselenophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(2-chrysen-2-ylphenyl)dibenzoselenophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-chrysen-2-yl-3-(6-phenyldibenzoselenophen-4-yl)quinoxaline has a molecular weight of 2115.15 g/mol, XLogP of 35.85, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chrysen-1-yl-4-dibenzoselenophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(2-chrysen-2-ylphenyl)dibenzoselenophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-chrysen-2-yl-3-(6-phenyldibenzoselenophen-4-yl)quinoxaline is sourced from PubChem (CID 167709726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).