2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine

C147H83N15O3S6 — CID 157385227

IUPAC2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4sc5cc(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)ccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4sc5cccc(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)c5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc(-c2ncnc3c2sc2ccccc23)cc1
InChIInChI=1S/2C49H27N5OS2.C33H19N3OS.C16H10N2S/c1-3-12-28(13-4-1)43-45-44(33-17-8-10-20-39(33)57-45)51-49(50-43)34-18-11-21-41-42(34)36-27-31(23-25-40(36)56-41)48-53-46(29-14-5-2-6-15-29)52-47(54-48)30-22-24-38-35(26-30)32-16-7-9-19-37(32)55-38;1-3-11-28(12-4-1)43-45-44(35-16-8-10-18-40(35)57-45)51-47(50-43)32-19-22-34-37-26-31(21-24-41(37)56-42(34)27-32)49-53-46(29-13-5-2-6-14-29)52-48(54-49)30-20-23-39-36(25-30)33-15-7-9-17-38(33)55-39;1-2-8-20(9-3-1)31-34-32(21-14-16-28-25(18-21)23-10-4-6-12-27(23)37-28)36-33(35-31)22-15-17-30-26(19-22)24-11-5-7-13-29(24)38-30;1-2-6-11(7-3-1)14-16-15(18-10-17-14)12-8-4-5-9-13(12)19-16/h2*1-27H;1-19H;1-10H
InChIKeyBLIWKVHTWZNSDG-UHFFFAOYSA-N
MW2299.78 g/mol
LogP40.92
Rot. Bonds14

About 2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine

2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 157385227) has the molecular formula C147H83N15O3S6 and a molecular weight of 2299.78 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID157385227
Molecular FormulaC147H83N15O3S6
Molecular Weight2299.78 g/mol
Exact Mass2297.51
IUPAC Name2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4sc5cc(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)ccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4sc5cccc(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)c5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc(-c2ncnc3c2sc2ccccc23)cc1
InChIInChI=1S/2C49H27N5OS2.C33H19N3OS.C16H10N2S/c1-3-12-28(13-4-1)43-45-44(33-17-8-10-20-39(33)57-45)51-49(50-43)34-18-11-21-41-42(34)36-27-31(23-25-40(36)56-41)48-53-46(29-14-5-2-6-15-29)52-47(54-48)30-22-24-38-35(26-30)32-16-7-9-19-37(32)55-38;1-3-11-28(12-4-1)43-45-44(35-16-8-10-18-40(35)57-45)51-47(50-43)32-19-22-34-37-26-31(21-24-41(37)56-42(34)27-32)49-53-46(29-13-5-2-6-14-29)52-48(54-49)30-20-23-39-36(25-30)33-15-7-9-17-38(33)55-39;1-2-8-20(9-3-1)31-34-32(21-14-16-28-25(18-21)23-10-4-6-12-27(23)37-28)36-33(35-31)22-15-17-30-26(19-22)24-11-5-7-13-29(24)38-30;1-2-6-11(7-3-1)14-16-15(18-10-17-14)12-8-4-5-9-13(12)19-16/h2*1-27H;1-19H;1-10H
InChIKeyBLIWKVHTWZNSDG-UHFFFAOYSA-N
XLogP40.92
TPSA232.77 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002299.78
LogP ≤ 540.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine with MolForge

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Related Compounds

18-(4-Dibenzofuran-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-22-fluoro-5-isoquinolin-5-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene
CID 134276447
2-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-(4-fluorophenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 148018353
2-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(4-fluorophenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 148229630
2-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 148256198
2-[6-[4-(4-Tert-butylphenyl)-6-[8-[6-[4-[6-[2-(3-fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-2-yl]-6-phenyldibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]quinazoline
CID 148308671
2-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 148488438
2-[3-(4-Dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 149171661
2-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 153253992
2-[8-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(4-fluorophenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 155049865
2-[8-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 155049866
2-[7-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 155050269
2-[7-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(4-fluorophenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 155050274

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine (CID 157385227) is 2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4sc5cc(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)ccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4sc5cccc(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)c5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc(-c2ncnc3c2sc2ccccc23)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is BLIWKVHTWZNSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H27N5OS2.C33H19N3OS.C16H10N2S/c1-3-12-28(13-4-1)43-45-44(33-17-8-10-20-39(33)57-45)51-49(50-43)34-18-11-21-41-42(34)36-27-31(23-25-40(36)56-41)48-53-46(29-14-5-2-6-15-29)52-47(54-48)30-22-24-38-35(26-30)32-16-7-9-19-37(32)55-38;1-3-11-28(12-4-1)43-45-44(35-16-8-10-18-40(35)57-45)51-47(50-43)32-19-22-34-37-26-31(21-24-41(37)56-42(34)27-32)49-53-46(29-13-5-2-6-14-29)52-48(54-49)30-20-23-39-36(25-30)33-15-7-9-17-38(33)55-39;1-2-8-20(9-3-1)31-34-32(21-14-16-28-25(18-21)23-10-4-6-12-27(23)37-28)36-33(35-31)22-15-17-30-26(19-22)24-11-5-7-13-29(24)38-30;1-2-6-11(7-3-1)14-16-15(18-10-17-14)12-8-4-5-9-13(12)19-16/h2*1-27H;1-19H;1-10H.
What are the key properties of 2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 2299.78 g/mol, XLogP of 40.92, 14 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 157385227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).