2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine

C141H83N9O3S3 — CID 159358952

IUPAC2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4ccccc34)n2)c([2H])c1[2H].c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc(-c5cccc6c5sc5ccccc56)c5ccccc45)n3)c2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4ccccc34)n2)cc1
InChIInChI=1S/2C49H29N3OS.C43H25N3OS/c1-2-13-30(14-3-1)32-15-4-7-20-41(32)48-50-47(31-25-26-37-36-18-8-10-23-43(36)53-44(37)29-31)51-49(52-48)42-28-27-35(33-16-5-6-17-34(33)42)39-21-12-22-40-38-19-9-11-24-45(38)54-46(39)40;1-2-12-30(13-3-1)31-14-10-15-32(28-31)47-50-48(33-24-25-38-37-18-6-8-22-43(37)53-44(38)29-33)52-49(51-47)42-27-26-36(34-16-4-5-17-35(34)42)40-20-11-21-41-39-19-7-9-23-45(39)54-46(40)41;1-2-11-26(12-3-1)41-44-42(27-21-22-32-31-15-6-8-19-37(31)47-38(32)25-27)46-43(45-41)36-24-23-30(28-13-4-5-14-29(28)36)34-17-10-18-35-33-16-7-9-20-39(33)48-40(34)35/h2*1-29H;1-25H/i;;1D,2D,3D,11D,12D
InChIKeyLIGZKGYWTOQQHK-OCFFOATRSA-N
MW2052.51 g/mol
LogP39.21
Rot. Bonds14

About 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 159358952) has the molecular formula C141H83N9O3S3 and a molecular weight of 2052.51 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID159358952
Molecular FormulaC141H83N9O3S3
Molecular Weight2052.51 g/mol
Exact Mass2050.61
IUPAC Name2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4ccccc34)n2)c([2H])c1[2H].c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc(-c5cccc6c5sc5ccccc56)c5ccccc45)n3)c2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4ccccc34)n2)cc1
InChIInChI=1S/2C49H29N3OS.C43H25N3OS/c1-2-13-30(14-3-1)32-15-4-7-20-41(32)48-50-47(31-25-26-37-36-18-8-10-23-43(36)53-44(37)29-31)51-49(52-48)42-28-27-35(33-16-5-6-17-34(33)42)39-21-12-22-40-38-19-9-11-24-45(38)54-46(39)40;1-2-12-30(13-3-1)31-14-10-15-32(28-31)47-50-48(33-24-25-38-37-18-6-8-22-43(37)53-44(38)29-33)52-49(51-47)42-27-26-36(34-16-4-5-17-35(34)42)40-20-11-21-41-39-19-7-9-23-45(39)54-46(40)41;1-2-11-26(12-3-1)41-44-42(27-21-22-32-31-15-6-8-19-37(31)47-38(32)25-27)46-43(45-41)36-24-23-30(28-13-4-5-14-29(28)36)34-17-10-18-35-33-16-7-9-20-39(33)48-40(34)35/h2*1-29H;1-25H/i;;1D,2D,3D,11D,12D
InChIKeyLIGZKGYWTOQQHK-OCFFOATRSA-N
XLogP39.21
TPSA155.43 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002052.51
LogP ≤ 539.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylphenyl)-6-naphthalen-1-yl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 158294660
2-dibenzofuran-3-yl-4-[3-dibenzothiophen-4-yl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-yl-2-phenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 158298434
2-dibenzothiophen-4-yl-4-[7-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 168770134
2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-2-yl)-6-naphthalen-1-yl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 160968932
2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[5-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-1-yl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 161324131
2-dibenzothiophen-4-yl-4-[7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 168770642
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163842372
2-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazine
CID 168769902
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445744
2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 159487752
2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139404336

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 159358952) is 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4ccccc34)n2)c([2H])c1[2H].c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc(-c5cccc6c5sc5ccccc56)c5ccccc45)n3)c2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is LIGZKGYWTOQQHK-OCFFOATRSA-N. The full InChI is InChI=1S/2C49H29N3OS.C43H25N3OS/c1-2-13-30(14-3-1)32-15-4-7-20-41(32)48-50-47(31-25-26-37-36-18-8-10-23-43(36)53-44(37)29-31)51-49(52-48)42-28-27-35(33-16-5-6-17-34(33)42)39-21-12-22-40-38-19-9-11-24-45(38)54-46(39)40;1-2-12-30(13-3-1)31-14-10-15-32(28-31)47-50-48(33-24-25-38-37-18-6-8-22-43(37)53-44(38)29-33)52-49(51-47)42-27-26-36(34-16-4-5-17-35(34)42)40-20-11-21-41-39-19-7-9-23-45(39)54-46(40)41;1-2-11-26(12-3-1)41-44-42(27-21-22-32-31-15-6-8-19-37(31)47-38(32)25-27)46-43(45-41)36-24-23-30(28-13-4-5-14-29(28)36)34-17-10-18-35-33-16-7-9-20-39(33)48-40(34)35/h2*1-29H;1-25H/i;;1D,2D,3D,11D,12D.
What are the key properties of 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 2052.51 g/mol, XLogP of 39.21, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 159358952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).