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

C135H81N9Se3 — CID 167690821

IUPAC2-(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
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-c3c([2H])c([2H])c([2H])c4c3[se]c3c(-c5ccc6ccc7c8ccccc8ccc7c6c5)c([2H])c([2H])c([2H])c34)n2)c([2H])c1[2H].c1ccc(-c2nc(-c3cccc(-c4ccc5ccc6c7ccccc7ccc6c5c4)c3)nc(-c3cccc4c3[se]c3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccc4ccc5c6ccccc6ccc5c4c3)nc(-c3cccc4c3[se]c3ccccc34)n2)cc1
InChIInChI=1S/3C45H27N3Se/c1-3-12-30(13-4-1)43-46-44(31-14-5-2-6-15-31)48-45(47-43)39-20-10-19-38-37-18-9-17-34(41(37)49-42(38)39)32-22-21-29-24-25-35-33-16-8-7-11-28(33)23-26-36(35)40(29)27-32;1-2-11-30(12-3-1)43-46-44(48-45(47-43)39-18-9-17-38-37-16-6-7-19-41(37)49-42(38)39)33-14-8-13-31(26-33)32-21-20-29-23-24-35-34-15-5-4-10-28(34)22-25-36(35)40(29)27-32;1-2-12-30(13-3-1)43-46-44(48-45(47-43)39-19-10-18-37-36-16-8-9-20-41(36)49-42(37)39)38-17-7-6-15-33(38)31-22-21-29-24-25-34-32-14-5-4-11-28(32)23-26-35(34)40(29)27-31/h3*1-27H/i1D,2D,3D,4D,5D,6D,9D,10D,12D,13D,14D,15D,17D,18D,19D,20D;;
InChIKeyWXKRQMPRQKJABC-ZJJOHHKBSA-N
MW2082.17 g/mol
LogP34.09
Rot. Bonds12

About 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

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 (PubChem CID 167690821) has the molecular formula C135H81N9Se3 and a molecular weight of 2082.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID167690821
Molecular FormulaC135H81N9Se3
Molecular Weight2082.17 g/mol
Exact Mass2083.51
IUPAC Name2-(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
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-c3c([2H])c([2H])c([2H])c4c3[se]c3c(-c5ccc6ccc7c8ccccc8ccc7c6c5)c([2H])c([2H])c([2H])c34)n2)c([2H])c1[2H].c1ccc(-c2nc(-c3cccc(-c4ccc5ccc6c7ccccc7ccc6c5c4)c3)nc(-c3cccc4c3[se]c3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccc4ccc5c6ccccc6ccc5c4c3)nc(-c3cccc4c3[se]c3ccccc34)n2)cc1
InChIInChI=1S/3C45H27N3Se/c1-3-12-30(13-4-1)43-46-44(31-14-5-2-6-15-31)48-45(47-43)39-20-10-19-38-37-18-9-17-34(41(37)49-42(38)39)32-22-21-29-24-25-35-33-16-8-7-11-28(33)23-26-36(35)40(29)27-32;1-2-11-30(12-3-1)43-46-44(48-45(47-43)39-18-9-17-38-37-16-6-7-19-41(37)49-42(38)39)33-14-8-13-31(26-33)32-21-20-29-23-24-35-34-15-5-4-10-28(34)22-25-36(35)40(29)27-32;1-2-12-30(13-3-1)43-46-44(48-45(47-43)39-19-10-18-37-36-16-8-9-20-41(36)49-42(37)39)38-17-7-6-15-33(38)31-22-21-29-24-25-34-32-14-5-4-11-28(32)23-26-35(34)40(29)27-31/h3*1-27H/i1D,2D,3D,4D,5D,6D,9D,10D,12D,13D,14D,15D,17D,18D,19D,20D;;
InChIKeyWXKRQMPRQKJABC-ZJJOHHKBSA-N
XLogP34.09
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002082.17
LogP ≤ 534.09
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-(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 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-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
CID 167685268
CID 167685268
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-dibenzoselenophen-4-yl-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164943489
2-(2-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 176831507
2-(6-chrysen-2-yldibenzoselenophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 164943697
2-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164747995
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
CID 167531625
CID 167531625
2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-[3-(4-naphthalen-1-ylphenyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171469883
2-phenyl-4-(3-phenylphenyl)-6-[2-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 137389686

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-c3c([2H])c([2H])c([2H])c4c3[se]c3c(-c5ccc6ccc7c8ccccc8ccc7c6c5)c([2H])c([2H])c([2H])c34)n2)c([2H])c1[2H].c1ccc(-c2nc(-c3cccc(-c4ccc5ccc6c7ccccc7ccc6c5c4)c3)nc(-c3cccc4c3[se]c3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccc4ccc5c6ccccc6ccc5c4c3)nc(-c3cccc4c3[se]c3ccccc34)n2)cc1.
What is the InChIKey of 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?
The InChIKey is WXKRQMPRQKJABC-ZJJOHHKBSA-N. The full InChI is InChI=1S/3C45H27N3Se/c1-3-12-30(13-4-1)43-46-44(31-14-5-2-6-15-31)48-45(47-43)39-20-10-19-38-37-18-9-17-34(41(37)49-42(38)39)32-22-21-29-24-25-35-33-16-8-7-11-28(33)23-26-36(35)40(29)27-32;1-2-11-30(12-3-1)43-46-44(48-45(47-43)39-18-9-17-38-37-16-6-7-19-41(37)49-42(38)39)33-14-8-13-31(26-33)32-21-20-29-23-24-35-34-15-5-4-10-28(34)22-25-36(35)40(29)27-32;1-2-12-30(13-3-1)43-46-44(48-45(47-43)39-19-10-18-37-36-16-8-9-20-41(36)49-42(37)39)38-17-7-6-15-33(38)31-22-21-29-24-25-34-32-14-5-4-11-28(32)23-26-35(34)40(29)27-31/h3*1-27H/i1D,2D,3D,4D,5D,6D,9D,10D,12D,13D,14D,15D,17D,18D,19D,20D;;.
What are the key properties of 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?
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 has a molecular weight of 2082.17 g/mol, XLogP of 34.09, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167690821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).