8-(3-dibenzothiophen-4-ylphenyl)-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-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole

C153H95N11S5 — CID 157059813

IUPAC8-(3-dibenzothiophen-4-ylphenyl)-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-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6ccc7sc(-c8ccccc8)nc7c6c5)c4)n3)c2)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/C44H28N4S.2C37H23N3S.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;1-3-10-25(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;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/h1-28H;2*1-23H;1-21H
InChIKeyABESDMSLQAXXJU-UHFFFAOYSA-N
MW2247.85 g/mol
LogP42.58
Rot. Bonds17

About 8-(3-dibenzothiophen-4-ylphenyl)-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-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-dibenzothiophen-4-ylphenyl)-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-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 157059813) has the molecular formula C153H95N11S5 and a molecular weight of 2247.85 g/mol. Its IUPAC name is 8-(3-dibenzothiophen-4-ylphenyl)-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-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-dibenzothiophen-4-ylphenyl)-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-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole
PubChem CID157059813
Molecular FormulaC153H95N11S5
Molecular Weight2247.85 g/mol
Exact Mass2245.64
IUPAC Name8-(3-dibenzothiophen-4-ylphenyl)-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-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6ccc7sc(-c8ccccc8)nc7c6c5)c4)n3)c2)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/C44H28N4S.2C37H23N3S.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;1-3-10-25(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;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/h1-28H;2*1-23H;1-21H
InChIKeyABESDMSLQAXXJU-UHFFFAOYSA-N
XLogP42.58
TPSA141.79 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002247.85
LogP ≤ 542.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 8-(3-dibenzothiophen-4-ylphenyl)-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-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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Frequently Asked Questions

What is the IUPAC name of 8-(3-dibenzothiophen-4-ylphenyl)-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-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-dibenzothiophen-4-ylphenyl)-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-phenylquinazolin-2-yl)phenyl]benzo[e][1,3]benzothiazole;2-phenyl-8-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[e][1,3]benzothiazole (CID 157059813) is 8-(3-dibenzothiophen-4-ylphenyl)-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-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-dibenzothiophen-4-ylphenyl)-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-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-dibenzothiophen-4-ylphenyl)-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-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(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6ccc7sc(-c8ccccc8)nc7c6c5)c4)n3)c2)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-dibenzothiophen-4-ylphenyl)-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-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 ABESDMSLQAXXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4S.2C37H23N3S.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;1-3-10-25(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;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/h1-28H;2*1-23H;1-21H.
What are the key properties of 8-(3-dibenzothiophen-4-ylphenyl)-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-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-dibenzothiophen-4-ylphenyl)-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-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 2247.85 g/mol, XLogP of 42.58, 17 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-dibenzothiophen-4-ylphenyl)-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-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 157059813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).