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

C127H75N9Se3 — CID 167670635

IUPAC2-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
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(ccc5c6ccccc6ccc45)c3)nc(-c3c([2H])c([2H])c([2H])c4c3[se]c3c([2H])c([2H])c([2H])c([2H])c34)n2)c([2H])c1[2H].c1ccc(-c2ccc(-c3nc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)nc(-c4cccc5c4[se]c4ccccc45)n3)cc2)cc1.c1ccc2cc(-c3nc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)nc(-c4cccc5c4[se]c4ccccc45)n3)ccc2c1
InChIInChI=1S/C45H27N3Se.C43H25N3Se.C39H23N3Se/c1-2-9-28(10-3-1)29-17-19-31(20-18-29)43-46-44(48-45(47-43)40-15-8-14-39-38-13-6-7-16-41(38)49-42(39)40)33-23-24-35-32(27-33)22-26-36-34-12-5-4-11-30(34)21-25-37(35)36;1-2-10-28-24-30(17-16-26(28)8-1)41-44-42(46-43(45-41)38-14-7-13-37-36-12-5-6-15-39(36)47-40(37)38)31-20-21-33-29(25-31)19-23-34-32-11-4-3-9-27(32)18-22-35(33)34;1-2-10-25(11-3-1)37-40-38(42-39(41-37)34-15-8-14-33-32-13-6-7-16-35(32)43-36(33)34)27-19-20-29-26(23-27)18-22-30-28-12-5-4-9-24(28)17-21-31(29)30/h1-27H;1-25H;1-23H/i;;1D,2D,3D,6D,7D,8D,10D,11D,13D,14D,15D,16D
InChIKeyUBESMZQVADLDIG-VZDMVFCESA-N
MW1976.01 g/mol
LogP31.91
Rot. Bonds10

About 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

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 (PubChem CID 167670635) has the molecular formula C127H75N9Se3 and a molecular weight of 1976.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID167670635
Molecular FormulaC127H75N9Se3
Molecular Weight1976.01 g/mol
Exact Mass1977.44
IUPAC Name2-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
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(ccc5c6ccccc6ccc45)c3)nc(-c3c([2H])c([2H])c([2H])c4c3[se]c3c([2H])c([2H])c([2H])c([2H])c34)n2)c([2H])c1[2H].c1ccc(-c2ccc(-c3nc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)nc(-c4cccc5c4[se]c4ccccc45)n3)cc2)cc1.c1ccc2cc(-c3nc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)nc(-c4cccc5c4[se]c4ccccc45)n3)ccc2c1
InChIInChI=1S/C45H27N3Se.C43H25N3Se.C39H23N3Se/c1-2-9-28(10-3-1)29-17-19-31(20-18-29)43-46-44(48-45(47-43)40-15-8-14-39-38-13-6-7-16-41(38)49-42(39)40)33-23-24-35-32(27-33)22-26-36-34-12-5-4-11-30(34)21-25-37(35)36;1-2-10-28-24-30(17-16-26(28)8-1)41-44-42(46-43(45-41)38-14-7-13-37-36-12-5-6-15-39(36)47-40(37)38)31-20-21-33-29(25-31)19-23-34-32-11-4-3-9-27(32)18-22-35(33)34;1-2-10-25(11-3-1)37-40-38(42-39(41-37)34-15-8-14-33-32-13-6-7-16-35(32)43-36(33)34)27-19-20-29-26(23-27)18-22-30-28-12-5-4-9-24(28)17-21-31(29)30/h1-27H;1-25H;1-23H/i;;1D,2D,3D,6D,7D,8D,10D,11D,13D,14D,15D,16D
InChIKeyUBESMZQVADLDIG-VZDMVFCESA-N
XLogP31.91
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001976.01
LogP ≤ 531.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-chrysen-3-yl-4-dibenzoselenophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-chrysen-3-yl-4-dibenzoselenophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-chrysen-3-yl-4-dibenzoselenophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-chrysen-3-yl-4-(1,2,3,6,7,8,9-heptadeuteriodibenzoselenophen-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 167664446
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
CID 167685268
CID 167685268
2-(6-chrysen-2-yldibenzoselenophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 164943697
CID 167531625
CID 167531625
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-(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
2-[3-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]-4-(3-phenanthren-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 170691032
2-(4-dibenzoselenophen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164943631
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
2-[3-(4-naphthalen-1-ylphenyl)phenyl]-4-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 169302456

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(ccc5c6ccccc6ccc45)c3)nc(-c3c([2H])c([2H])c([2H])c4c3[se]c3c([2H])c([2H])c([2H])c([2H])c34)n2)c([2H])c1[2H].c1ccc(-c2ccc(-c3nc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)nc(-c4cccc5c4[se]c4ccccc45)n3)cc2)cc1.c1ccc2cc(-c3nc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)nc(-c4cccc5c4[se]c4ccccc45)n3)ccc2c1.
What is the InChIKey of 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?
The InChIKey is UBESMZQVADLDIG-VZDMVFCESA-N. The full InChI is InChI=1S/C45H27N3Se.C43H25N3Se.C39H23N3Se/c1-2-9-28(10-3-1)29-17-19-31(20-18-29)43-46-44(48-45(47-43)40-15-8-14-39-38-13-6-7-16-41(38)49-42(39)40)33-23-24-35-32(27-33)22-26-36-34-12-5-4-11-30(34)21-25-37(35)36;1-2-10-28-24-30(17-16-26(28)8-1)41-44-42(46-43(45-41)38-14-7-13-37-36-12-5-6-15-39(36)47-40(37)38)31-20-21-33-29(25-31)19-23-34-32-11-4-3-9-27(32)18-22-35(33)34;1-2-10-25(11-3-1)37-40-38(42-39(41-37)34-15-8-14-33-32-13-6-7-16-35(32)43-36(33)34)27-19-20-29-26(23-27)18-22-30-28-12-5-4-9-24(28)17-21-31(29)30/h1-27H;1-25H;1-23H/i;;1D,2D,3D,6D,7D,8D,10D,11D,13D,14D,15D,16D.
What are the key properties of 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?
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 has a molecular weight of 1976.01 g/mol, XLogP of 31.91, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167670635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).