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

C172H102N12Se4 — CID 167664446

IUPAC2-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
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4ccc5c6ccccc6ccc5c4c3)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(-c4ccc5ccc6c7ccccc7ccc6c5c4)nc(-c4cccc5c4[se]c4ccccc45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc5ccc6c7ccccc7ccc6c5c4)nc(-c4cccc5c4[se]c4ccccc45)n3)c2)cc1.c1ccc2cc(-c3nc(-c4ccc5ccc6c7ccccc7ccc6c5c4)nc(-c4cccc5c4[se]c4ccccc45)n3)ccc2c1
InChIInChI=1S/2C45H27N3Se.C43H25N3Se.C39H23N3Se/c1-2-10-28(11-3-1)31-13-8-14-32(26-31)43-46-44(48-45(47-43)39-18-9-17-38-37-16-6-7-19-41(37)49-42(38)39)33-21-20-30-23-24-35-34-15-5-4-12-29(34)22-25-36(35)40(30)27-33;1-2-9-28(10-3-1)29-17-20-32(21-18-29)43-46-44(48-45(47-43)39-15-8-14-38-37-13-6-7-16-41(37)49-42(38)39)33-22-19-31-24-25-35-34-12-5-4-11-30(34)23-26-36(35)40(31)27-33;1-2-10-29-24-30(18-16-26(29)8-1)41-44-42(46-43(45-41)37-14-7-13-36-35-12-5-6-15-39(35)47-40(36)37)31-19-17-28-21-22-33-32-11-4-3-9-27(32)20-23-34(33)38(28)25-31;1-2-10-26(11-3-1)37-40-38(42-39(41-37)33-15-8-14-32-31-13-6-7-16-35(31)43-36(32)33)27-18-17-25-20-21-29-28-12-5-4-9-24(28)19-22-30(29)34(25)23-27/h2*1-27H;1-25H;1-23H/i;;;1D,2D,3D,6D,7D,8D,10D,11D,13D,14D,15D,16D
InChIKeySKOSEUWGFWXPST-XYTLGREHSA-N
MW2664.71 g/mol
LogP43.27
Rot. Bonds14

About 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

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 (PubChem CID 167664446) has the molecular formula C172H102N12Se4 and a molecular weight of 2664.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID167664446
Molecular FormulaC172H102N12Se4
Molecular Weight2664.71 g/mol
Exact Mass2666.58
IUPAC Name2-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
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4ccc5c6ccccc6ccc5c4c3)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(-c4ccc5ccc6c7ccccc7ccc6c5c4)nc(-c4cccc5c4[se]c4ccccc45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc5ccc6c7ccccc7ccc6c5c4)nc(-c4cccc5c4[se]c4ccccc45)n3)c2)cc1.c1ccc2cc(-c3nc(-c4ccc5ccc6c7ccccc7ccc6c5c4)nc(-c4cccc5c4[se]c4ccccc45)n3)ccc2c1
InChIInChI=1S/2C45H27N3Se.C43H25N3Se.C39H23N3Se/c1-2-10-28(11-3-1)31-13-8-14-32(26-31)43-46-44(48-45(47-43)39-18-9-17-38-37-16-6-7-19-41(37)49-42(38)39)33-21-20-30-23-24-35-34-15-5-4-12-29(34)22-25-36(35)40(30)27-33;1-2-9-28(10-3-1)29-17-20-32(21-18-29)43-46-44(48-45(47-43)39-15-8-14-38-37-13-6-7-16-41(37)49-42(38)39)33-22-19-31-24-25-35-34-12-5-4-11-30(34)23-26-36(35)40(31)27-33;1-2-10-29-24-30(18-16-26(29)8-1)41-44-42(46-43(45-41)37-14-7-13-36-35-12-5-6-15-39(35)47-40(36)37)31-19-17-28-21-22-33-32-11-4-3-9-27(32)20-23-34(33)38(28)25-31;1-2-10-26(11-3-1)37-40-38(42-39(41-37)33-15-8-14-32-31-13-6-7-16-35(31)43-36(32)33)27-18-17-25-20-21-29-28-12-5-4-9-24(28)19-22-30(29)34(25)23-27/h2*1-27H;1-25H;1-23H/i;;;1D,2D,3D,6D,7D,8D,10D,11D,13D,14D,15D,16D
InChIKeySKOSEUWGFWXPST-XYTLGREHSA-N
XLogP43.27
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002664.71
LogP ≤ 543.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-(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
CID 167685268
CID 167685268
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
2-[5-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166022151
CID 167531625
CID 167531625
2-(4-naphthalen-1-ylphenyl)-4-[3-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 166022217
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-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164747995
2,4-di(phenanthren-1-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598281

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4ccc5c6ccccc6ccc5c4c3)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(-c4ccc5ccc6c7ccccc7ccc6c5c4)nc(-c4cccc5c4[se]c4ccccc45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc5ccc6c7ccccc7ccc6c5c4)nc(-c4cccc5c4[se]c4ccccc45)n3)c2)cc1.c1ccc2cc(-c3nc(-c4ccc5ccc6c7ccccc7ccc6c5c4)nc(-c4cccc5c4[se]c4ccccc45)n3)ccc2c1.
What is the InChIKey of 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?
The InChIKey is SKOSEUWGFWXPST-XYTLGREHSA-N. The full InChI is InChI=1S/2C45H27N3Se.C43H25N3Se.C39H23N3Se/c1-2-10-28(11-3-1)31-13-8-14-32(26-31)43-46-44(48-45(47-43)39-18-9-17-38-37-16-6-7-19-41(37)49-42(38)39)33-21-20-30-23-24-35-34-15-5-4-12-29(34)22-25-36(35)40(30)27-33;1-2-9-28(10-3-1)29-17-20-32(21-18-29)43-46-44(48-45(47-43)39-15-8-14-38-37-13-6-7-16-41(37)49-42(38)39)33-22-19-31-24-25-35-34-12-5-4-11-30(34)23-26-36(35)40(31)27-33;1-2-10-29-24-30(18-16-26(29)8-1)41-44-42(46-43(45-41)37-14-7-13-36-35-12-5-6-15-39(35)47-40(36)37)31-19-17-28-21-22-33-32-11-4-3-9-27(32)20-23-34(33)38(28)25-31;1-2-10-26(11-3-1)37-40-38(42-39(41-37)33-15-8-14-32-31-13-6-7-16-35(31)43-36(32)33)27-18-17-25-20-21-29-28-12-5-4-9-24(28)19-22-30(29)34(25)23-27/h2*1-27H;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-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?
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 has a molecular weight of 2664.71 g/mol, XLogP of 43.27, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167664446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).