8-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole

C314H196N22OS9 — CID 157157654

IUPAC8-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3cccc(-c4ccc5ccc6sc(-c7ccccc7)nc6c5c4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc6sc(-c7ccccc7)nc6c5c4)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6ccc7sc(-c8ccccc8)nc7c6c5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6ccc7sc(-c8ccccc8)nc7c6c5)c4)n3)c2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc43)s2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc43)s2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc(-c6nc(-c7ccccc7)c7ccccc7n6)c5)cc43)s2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc(-c6nc7ccccc7nc6-c6ccccc6)c5)cc43)s2)cc1
InChIInChI=1S/2C44H28N4S.C43H27N3S.C39H25N3S.2C37H23N3S.C35H21NOS.C35H21NS2/c1-4-12-29(13-5-1)33-18-10-20-36(26-33)42-46-41(31-14-6-2-7-15-31)47-43(48-42)37-21-11-19-34(27-37)35-23-22-30-24-25-39-40(38(30)28-35)45-44(49-39)32-16-8-3-9-17-32;1-4-11-29(12-5-1)30-19-22-33(23-20-30)42-46-41(32-13-6-2-7-14-32)47-43(48-42)37-18-10-17-35(27-37)36-24-21-31-25-26-39-40(38(31)28-36)45-44(49-39)34-15-8-3-9-16-34;1-3-11-30(12-4-1)38-27-39(35-21-18-28-10-7-8-15-32(28)24-35)45-42(44-38)36-17-9-16-33(25-36)34-20-19-29-22-23-40-41(37(29)26-34)46-43(47-40)31-13-5-2-6-14-31;1-4-10-28(11-5-1)34-25-35(29-12-6-2-7-13-29)41-38(40-34)30-19-16-26(17-20-30)32-21-18-27-22-23-36-37(33(27)24-32)42-39(43-36)31-14-8-3-9-15-31;1-3-10-25(11-4-1)34-35(39-32-17-8-7-16-31(32)38-34)29-15-9-14-27(22-29)28-19-18-24-20-21-33-36(30(24)23-28)40-37(41-33)26-12-5-2-6-13-26;1-3-10-25(11-4-1)34-30-16-7-8-17-32(30)38-36(39-34)29-15-9-14-27(22-29)28-19-18-24-20-21-33-35(31(24)23-28)40-37(41-33)26-12-5-2-6-13-26;2*1-2-8-23(9-3-1)35-36-33-30-21-25(17-16-22(30)18-19-32(33)38-35)24-10-6-11-26(20-24)27-13-7-14-29-28-12-4-5-15-31(28)37-34(27)29/h2*1-28H;1-27H;1-25H;2*1-23H;2*1-21H
InChIKeyALZSHSGYBYDJMV-UHFFFAOYSA-N
MW4581.78 g/mol
LogP86.86
Rot. Bonds36

About 8-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole

8-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole (PubChem CID 157157654) has the molecular formula C314H196N22OS9 and a molecular weight of 4581.78 g/mol. Its IUPAC name is 8-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole.

Molecular Properties

Compound Name8-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole
PubChem CID157157654
Molecular FormulaC314H196N22OS9
Molecular Weight4581.78 g/mol
Exact Mass4577.34
IUPAC Name8-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3cccc(-c4ccc5ccc6sc(-c7ccccc7)nc6c5c4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc6sc(-c7ccccc7)nc6c5c4)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6ccc7sc(-c8ccccc8)nc7c6c5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6ccc7sc(-c8ccccc8)nc7c6c5)c4)n3)c2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc43)s2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc43)s2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc(-c6nc(-c7ccccc7)c7ccccc7n6)c5)cc43)s2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc(-c6nc7ccccc7nc6-c6ccccc6)c5)cc43)s2)cc1
InChIInChI=1S/2C44H28N4S.C43H27N3S.C39H25N3S.2C37H23N3S.C35H21NOS.C35H21NS2/c1-4-12-29(13-5-1)33-18-10-20-36(26-33)42-46-41(31-14-6-2-7-15-31)47-43(48-42)37-21-11-19-34(27-37)35-23-22-30-24-25-39-40(38(30)28-35)45-44(49-39)32-16-8-3-9-17-32;1-4-11-29(12-5-1)30-19-22-33(23-20-30)42-46-41(32-13-6-2-7-14-32)47-43(48-42)37-18-10-17-35(27-37)36-24-21-31-25-26-39-40(38(31)28-36)45-44(49-39)34-15-8-3-9-16-34;1-3-11-30(12-4-1)38-27-39(35-21-18-28-10-7-8-15-32(28)24-35)45-42(44-38)36-17-9-16-33(25-36)34-20-19-29-22-23-40-41(37(29)26-34)46-43(47-40)31-13-5-2-6-14-31;1-4-10-28(11-5-1)34-25-35(29-12-6-2-7-13-29)41-38(40-34)30-19-16-26(17-20-30)32-21-18-27-22-23-36-37(33(27)24-32)42-39(43-36)31-14-8-3-9-15-31;1-3-10-25(11-4-1)34-35(39-32-17-8-7-16-31(32)38-34)29-15-9-14-27(22-29)28-19-18-24-20-21-33-36(30(24)23-28)40-37(41-33)26-12-5-2-6-13-26;1-3-10-25(11-4-1)34-30-16-7-8-17-32(30)38-36(39-34)29-15-9-14-27(22-29)28-19-18-24-20-21-33-35(31(24)23-28)40-37(41-33)26-12-5-2-6-13-26;2*1-2-8-23(9-3-1)35-36-33-30-21-25(17-16-22(30)18-19-32(33)38-35)24-10-6-11-26(20-24)27-13-7-14-29-28-12-4-5-15-31(28)37-34(27)29/h2*1-28H;1-27H;1-25H;2*1-23H;2*1-21H
InChIKeyALZSHSGYBYDJMV-UHFFFAOYSA-N
XLogP86.86
TPSA296.72 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds36
Heavy Atoms346
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004581.78
LogP ≤ 586.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 8-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole with MolForge

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Related Compounds

CID 157388239
CID 157388239
CID 159393370
CID 159393370
12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161901264
12-[6-[4-(4-Dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 117855513
24-(4-Dibenzofuran-2-yl-[1]benzothiolo[2,3-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118543910
24-(4-Dibenzofuran-4-yl-[1]benzothiolo[2,3-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118544092
15-Dibenzofuran-2-yl-27-thia-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2,4,6,8,10,13(18),14,16,19(30),20(28),21,23,25-tetradecaene
CID 118615901
16-Dibenzofuran-4-yl-27-thia-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2,4,6,8,10,13(18),14,16,19(30),20(28),21,23,25-tetradecaene
CID 118616005
17-Dibenzofuran-2-yl-9-thia-19,21,28-triazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13(18),14,16,20,22,24,26,28-tetradecaene
CID 118616006
4,7-Di(dibenzofuran-2-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole
CID 121425714
4,7-Bis(4-dibenzofuran-4-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole
CID 121425780
4,7-Bis(4-dibenzofuran-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole
CID 121425797

Frequently Asked Questions

What is the IUPAC name of 8-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole?
The IUPAC name of 8-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole (CID 157157654) is 8-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole.
What is the SMILES notation for 8-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole?
The canonical SMILES for 8-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole is c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3cccc(-c4ccc5ccc6sc(-c7ccccc7)nc6c5c4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc6sc(-c7ccccc7)nc6c5c4)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6ccc7sc(-c8ccccc8)nc7c6c5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6ccc7sc(-c8ccccc8)nc7c6c5)c4)n3)c2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc43)s2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc43)s2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc(-c6nc(-c7ccccc7)c7ccccc7n6)c5)cc43)s2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc(-c6nc7ccccc7nc6-c6ccccc6)c5)cc43)s2)cc1.
What is the InChIKey of 8-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole?
The InChIKey is ALZSHSGYBYDJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H28N4S.C43H27N3S.C39H25N3S.2C37H23N3S.C35H21NOS.C35H21NS2/c1-4-12-29(13-5-1)33-18-10-20-36(26-33)42-46-41(31-14-6-2-7-15-31)47-43(48-42)37-21-11-19-34(27-37)35-23-22-30-24-25-39-40(38(30)28-35)45-44(49-39)32-16-8-3-9-17-32;1-4-11-29(12-5-1)30-19-22-33(23-20-30)42-46-41(32-13-6-2-7-14-32)47-43(48-42)37-18-10-17-35(27-37)36-24-21-31-25-26-39-40(38(31)28-36)45-44(49-39)34-15-8-3-9-16-34;1-3-11-30(12-4-1)38-27-39(35-21-18-28-10-7-8-15-32(28)24-35)45-42(44-38)36-17-9-16-33(25-36)34-20-19-29-22-23-40-41(37(29)26-34)46-43(47-40)31-13-5-2-6-14-31;1-4-10-28(11-5-1)34-25-35(29-12-6-2-7-13-29)41-38(40-34)30-19-16-26(17-20-30)32-21-18-27-22-23-36-37(33(27)24-32)42-39(43-36)31-14-8-3-9-15-31;1-3-10-25(11-4-1)34-35(39-32-17-8-7-16-31(32)38-34)29-15-9-14-27(22-29)28-19-18-24-20-21-33-36(30(24)23-28)40-37(41-33)26-12-5-2-6-13-26;1-3-10-25(11-4-1)34-30-16-7-8-17-32(30)38-36(39-34)29-15-9-14-27(22-29)28-19-18-24-20-21-33-35(31(24)23-28)40-37(41-33)26-12-5-2-6-13-26;2*1-2-8-23(9-3-1)35-36-33-30-21-25(17-16-22(30)18-19-32(33)38-35)24-10-6-11-26(20-24)27-13-7-14-29-28-12-4-5-15-31(28)37-34(27)29/h2*1-28H;1-27H;1-25H;2*1-23H;2*1-21H.
What are the key properties of 8-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole?
8-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole has a molecular weight of 4581.78 g/mol, XLogP of 86.86, 36 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole;8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;8-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole is sourced from PubChem (CID 157157654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).