2-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-triphenylen-2-yl-1,3,5-triazine;2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-[3-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)phenyl]-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine

C252H152N12O4S4 — CID 158452103

IUPAC2-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-triphenylen-2-yl-1,3,5-triazine;2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-[3-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)phenyl]-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1cc(-c2ccc(-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(-c4cccc5oc6c(-c7cccc8ccccc78)cccc6c45)n3)cc2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7cccc(-c8ccc(-c9cc%10ccccc%10c%10c9sc9ccccc9%10)cc8)c7)nc(-c7ccc8ccccc8c7)n6)c5c4c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5cccc(-c6ccc(-c7cccc8c7sc7ccccc78)cc6)c5)nc(-c5cccc6oc7cccc(-c8ccccc8)c7c56)n4)cc3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccccc5-c5cccc6c5sc5ccccc56)cc4)nc(-c4cccc5oc6cccc(-c7ccccc7)c6c45)n3)c2)cc1
InChIInChI=1S/C67H39N3OS.C65H39N3OS.C63H39N3OS.C57H35N3OS/c1-2-18-46-41(14-1)15-10-25-48(46)55-26-12-28-57-62-58(29-13-30-60(62)71-63(55)57)67-69-65(68-66(70-67)45-36-37-53-51-21-4-3-19-49(51)50-20-5-6-22-52(50)59(53)39-45)42-34-32-40(33-35-42)43-16-9-17-44(38-43)47-24-11-27-56-54-23-7-8-31-61(54)72-64(47)56;1-2-12-40(13-3-1)42-24-26-44(27-25-42)48-34-35-57-56(38-48)60-54(21-11-22-58(60)69-57)65-67-63(66-64(68-65)51-33-30-41-14-4-5-15-46(41)37-51)50-18-10-17-47(36-50)43-28-31-45(32-29-43)55-39-49-16-6-7-19-52(49)61-53-20-8-9-23-59(53)70-62(55)61;1-3-14-40(15-4-1)46-18-9-19-47(38-46)42-32-36-45(37-33-42)61-64-62(66-63(65-61)54-26-13-28-56-59(54)58-50(23-12-27-55(58)67-56)43-16-5-2-6-17-43)49-21-10-20-48(39-49)41-30-34-44(35-31-41)51-24-11-25-53-52-22-7-8-29-57(52)68-60(51)53;1-3-15-36(16-4-1)40-19-11-20-41(35-40)56-58-55(59-57(60-56)48-27-14-29-50-53(48)52-43(24-13-28-49(52)61-50)37-17-5-2-6-18-37)39-33-31-38(32-34-39)42-21-7-8-22-44(42)46-25-12-26-47-45-23-9-10-30-51(45)62-54(46)47/h1-39H;1-39H;1-39H;1-35H
InChIKeyHECUXKUXWJJKFY-UHFFFAOYSA-N
MW3540.34 g/mol
LogP70.15
Rot. Bonds28

About 2-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-triphenylen-2-yl-1,3,5-triazine;2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-[3-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)phenyl]-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine

2-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-triphenylen-2-yl-1,3,5-triazine;2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-[3-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)phenyl]-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 158452103) has the molecular formula C252H152N12O4S4 and a molecular weight of 3540.34 g/mol. Its IUPAC name is 2-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-triphenylen-2-yl-1,3,5-triazine;2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-[3-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)phenyl]-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-triphenylen-2-yl-1,3,5-triazine;2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-[3-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)phenyl]-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID158452103
Molecular FormulaC252H152N12O4S4
Molecular Weight3540.34 g/mol
Exact Mass3537.09
IUPAC Name2-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-triphenylen-2-yl-1,3,5-triazine;2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-[3-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)phenyl]-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1cc(-c2ccc(-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(-c4cccc5oc6c(-c7cccc8ccccc78)cccc6c45)n3)cc2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7cccc(-c8ccc(-c9cc%10ccccc%10c%10c9sc9ccccc9%10)cc8)c7)nc(-c7ccc8ccccc8c7)n6)c5c4c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5cccc(-c6ccc(-c7cccc8c7sc7ccccc78)cc6)c5)nc(-c5cccc6oc7cccc(-c8ccccc8)c7c56)n4)cc3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccccc5-c5cccc6c5sc5ccccc56)cc4)nc(-c4cccc5oc6cccc(-c7ccccc7)c6c45)n3)c2)cc1
InChIInChI=1S/C67H39N3OS.C65H39N3OS.C63H39N3OS.C57H35N3OS/c1-2-18-46-41(14-1)15-10-25-48(46)55-26-12-28-57-62-58(29-13-30-60(62)71-63(55)57)67-69-65(68-66(70-67)45-36-37-53-51-21-4-3-19-49(51)50-20-5-6-22-52(50)59(53)39-45)42-34-32-40(33-35-42)43-16-9-17-44(38-43)47-24-11-27-56-54-23-7-8-31-61(54)72-64(47)56;1-2-12-40(13-3-1)42-24-26-44(27-25-42)48-34-35-57-56(38-48)60-54(21-11-22-58(60)69-57)65-67-63(66-64(68-65)51-33-30-41-14-4-5-15-46(41)37-51)50-18-10-17-47(36-50)43-28-31-45(32-29-43)55-39-49-16-6-7-19-52(49)61-53-20-8-9-23-59(53)70-62(55)61;1-3-14-40(15-4-1)46-18-9-19-47(38-46)42-32-36-45(37-33-42)61-64-62(66-63(65-61)54-26-13-28-56-59(54)58-50(23-12-27-55(58)67-56)43-16-5-2-6-17-43)49-21-10-20-48(39-49)41-30-34-44(35-31-41)51-24-11-25-53-52-22-7-8-29-57(52)68-60(51)53;1-3-15-36(16-4-1)40-19-11-20-41(35-40)56-58-55(59-57(60-56)48-27-14-29-50-53(48)52-43(24-13-28-49(52)61-50)37-17-5-2-6-18-37)39-33-31-38(32-34-39)42-21-7-8-22-44(42)46-25-12-26-47-45-23-9-10-30-51(45)62-54(46)47/h1-39H;1-39H;1-39H;1-35H
InChIKeyHECUXKUXWJJKFY-UHFFFAOYSA-N
XLogP70.15
TPSA207.24 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003540.34
LogP ≤ 570.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-triphenylen-2-yl-1,3,5-triazine;2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-[3-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)phenyl]-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-1-yl-4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-(2-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine;2-(2-dibenzothiophen-4-ylphenyl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine;2-(2-dibenzothiophen-4-ylphenyl)-4-(9-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-(2-naphtho[2,3-b][1]benzothiol-4-ylphenyl)-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine;2-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)-4-(8-phenanthren-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 158284946
2-(2-dibenzothiophen-4-ylphenyl)-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-(2-dibenzothiophen-4-ylphenyl)-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(7-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-(2-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-yl]-1,3,5-triazine
CID 159466379
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine;2-(3-dibenzothiophen-4-yl-5-phenylphenyl)-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine;2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[4-(9-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[4-[6-(2-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 157106976
2-(4-dibenzothiophen-4-ylphenyl)-4-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 139549050
2-(6-naphthalen-2-yldibenzofuran-1-yl)-4-(2-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-6-phenyl-1,3,5-triazine;2-(6-naphthalen-1-yldibenzofuran-1-yl)-4-naphtho[1,2-b][1]benzothiol-9-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-5-yl-4-phenyl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(2-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 163759628
2-(9-naphthalen-1-yldibenzofuran-4-yl)-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine;2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(8-phenyldibenzothiophen-4-yl)-1,3,5-triazine;2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-[8-(2-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine;2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[8-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine;2-phenyl-4-[8-(3-phenylphenyl)dibenzofuran-4-yl]-6-[9-(2-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 158008493
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 161063143
2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 139549065
2-dibenzofuran-1-yl-4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-6-naphthalen-1-yl-1,3,5-triazine;2-dibenzofuran-1-yl-4-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-6-naphthalen-1-yl-1,3,5-triazine;2-dibenzofuran-1-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-[2-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-1-yl-4-[3-[3-(2-naphtho[2,1-b][1]benzothiol-6-ylphenyl)phenyl]-5-phenylphenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-1-yl-4-[4-(4-naphtho[2,3-b][1]benzothiol-6-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 161483436
2-(8-chrysen-6-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 134198571
2-(9-naphthalen-1-yldibenzofuran-4-yl)-4-(3-phenylphenyl)-6-[8-(2-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 138519802
2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-[4-[2-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[2-[4-[6-(2-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 158343645

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-triphenylen-2-yl-1,3,5-triazine;2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-[3-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)phenyl]-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-triphenylen-2-yl-1,3,5-triazine;2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-[3-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)phenyl]-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (CID 158452103) is 2-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-triphenylen-2-yl-1,3,5-triazine;2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-[3-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)phenyl]-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-triphenylen-2-yl-1,3,5-triazine;2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-[3-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)phenyl]-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-triphenylen-2-yl-1,3,5-triazine;2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-[3-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)phenyl]-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is c1cc(-c2ccc(-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(-c4cccc5oc6c(-c7cccc8ccccc78)cccc6c45)n3)cc2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7cccc(-c8ccc(-c9cc%10ccccc%10c%10c9sc9ccccc9%10)cc8)c7)nc(-c7ccc8ccccc8c7)n6)c5c4c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5cccc(-c6ccc(-c7cccc8c7sc7ccccc78)cc6)c5)nc(-c5cccc6oc7cccc(-c8ccccc8)c7c56)n4)cc3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccccc5-c5cccc6c5sc5ccccc56)cc4)nc(-c4cccc5oc6cccc(-c7ccccc7)c6c45)n3)c2)cc1.
What is the InChIKey of 2-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-triphenylen-2-yl-1,3,5-triazine;2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-[3-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)phenyl]-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is HECUXKUXWJJKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H39N3OS.C65H39N3OS.C63H39N3OS.C57H35N3OS/c1-2-18-46-41(14-1)15-10-25-48(46)55-26-12-28-57-62-58(29-13-30-60(62)71-63(55)57)67-69-65(68-66(70-67)45-36-37-53-51-21-4-3-19-49(51)50-20-5-6-22-52(50)59(53)39-45)42-34-32-40(33-35-42)43-16-9-17-44(38-43)47-24-11-27-56-54-23-7-8-31-61(54)72-64(47)56;1-2-12-40(13-3-1)42-24-26-44(27-25-42)48-34-35-57-56(38-48)60-54(21-11-22-58(60)69-57)65-67-63(66-64(68-65)51-33-30-41-14-4-5-15-46(41)37-51)50-18-10-17-47(36-50)43-28-31-45(32-29-43)55-39-49-16-6-7-19-52(49)61-53-20-8-9-23-59(53)70-62(55)61;1-3-14-40(15-4-1)46-18-9-19-47(38-46)42-32-36-45(37-33-42)61-64-62(66-63(65-61)54-26-13-28-56-59(54)58-50(23-12-27-55(58)67-56)43-16-5-2-6-17-43)49-21-10-20-48(39-49)41-30-34-44(35-31-41)51-24-11-25-53-52-22-7-8-29-57(52)68-60(51)53;1-3-15-36(16-4-1)40-19-11-20-41(35-40)56-58-55(59-57(60-56)48-27-14-29-50-53(48)52-43(24-13-28-49(52)61-50)37-17-5-2-6-18-37)39-33-31-38(32-34-39)42-21-7-8-22-44(42)46-25-12-26-47-45-23-9-10-30-51(45)62-54(46)47/h1-39H;1-39H;1-39H;1-35H.
What are the key properties of 2-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-triphenylen-2-yl-1,3,5-triazine;2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-[3-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)phenyl]-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
2-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-triphenylen-2-yl-1,3,5-triazine;2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-[3-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)phenyl]-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 3540.34 g/mol, XLogP of 70.15, 28 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-triphenylen-2-yl-1,3,5-triazine;2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-[3-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)phenyl]-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 158452103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).