2-[3-(1,3-benzothiazol-2-yl)-5-[10-[10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[6-[10-[10-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]naphthalen-2-yl]-1,3-benzothiazole;2-[3-[10-[10-[3-(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[4-[2-[10-[10-[2-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]phenyl]-1,3-benzothiazole;6-(trifluoromethyl)-2-[4-[10-[10-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole

C306H176F6N12S12 — CID 158307561

About 2-[3-(1,3-benzothiazol-2-yl)-5-[10-[10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[6-[10-[10-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]naphthalen-2-yl]-1,3-benzothiazole;2-[3-[10-[10-[3-(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[4-[2-[10-[10-[2-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]phenyl]-1,3-benzothiazole;6-(trifluoromethyl)-2-[4-[10-[10-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole

2-[3-(1,3-benzothiazol-2-yl)-5-[10-[10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[6-[10-[10-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]naphthalen-2-yl]-1,3-benzothiazole;2-[3-[10-[10-[3-(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[4-[2-[10-[10-[2-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]phenyl]-1,3-benzothiazole;6-(trifluoromethyl)-2-[4-[10-[10-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole (PubChem CID 158307561) has the molecular formula C306H176F6N12S12 and a molecular weight of 4519.65 g/mol. Its IUPAC name is 2-[3-(1,3-benzothiazol-2-yl)-5-[10-[10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[6-[10-[10-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]naphthalen-2-yl]-1,3-benzothiazole;2-[3-[10-[10-[3-(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[4-[2-[10-[10-[2-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]phenyl]-1,3-benzothiazole;6-(trifluoromethyl)-2-[4-[10-[10-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 2-[3-(1,3-benzothiazol-2-yl)-5-[10-[10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[6-[10-[10-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]naphthalen-2-yl]-1,3-benzothiazole;2-[3-[10-[10-[3-(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[4-[2-[10-[10-[2-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]phenyl]-1,3-benzothiazole;6-(trifluoromethyl)-2-[4-[10-[10-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole
• PubChem CID: 158307561
• Molecular Formula: C306H176F6N12S12
• Molecular Weight: 4519.65 g/mol
• Exact Mass: 4515.07
• IUPAC Name: 2-[3-(1,3-benzothiazol-2-yl)-5-[10-[10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[6-[10-[10-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]naphthalen-2-yl]-1,3-benzothiazole;2-[3-[10-[10-[3-(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[4-[2-[10-[10-[2-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]phenyl]-1,3-benzothiazole;6-(trifluoromethyl)-2-[4-[10-[10-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole
• SMILES: FC(F)(F)c1ccc2nc(-c3ccc(-c4c5ccccc5c(-c5c6ccccc6c(-c6ccc(-c7nc8ccc(C(F)(F)F)cc8s7)cc6)c6ccccc56)c5ccccc45)cc3)sc2c1.c1cc(-c2nc3ccccc3s2)cc(-c2c3ccccc3c(-c3c4ccccc4c(-c4cccc(-c5nc6ccccc6s5)c4)c4ccccc34)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccccc4-c4ccc(-c5nc6ccccc6s5)cc4)c4ccccc34)c3ccccc23)c(-c2ccc(-c3nc4ccccc4s3)cc2)c1.c1ccc2sc(-c3cc(-c4nc5ccccc5s4)cc(-c4c5ccccc5c(-c5c6ccccc6c(-c6cc(-c7nc8ccccc8s7)cc(-c7nc8ccccc8s7)c6)c6ccccc56)c5ccccc45)c3)nc2c1.c1ccc2sc(-c3ccc4cc(-c5c6ccccc6c(-c6c7ccccc7c(-c7ccc8cc(-c9nc%10ccccc%10s9)ccc8c7)c7ccccc67)c6ccccc56)ccc4c3)nc2c1
• InChI: InChI=1S/C68H38N4S4.C66H40N2S2.C62H36N2S2.C56H30F6N2S2.C54H32N2S2/c1-5-21-49-45(17-1)61(39-33-41(65-69-53-25-9-13-29-57(53)73-65)37-42(34-39)66-70-54-26-10-14-30-58(54)74-66)46-18-2-6-22-50(46)63(49)64-51-23-7-3-19-47(51)62(48-20-4-8-24-52(48)64)40-35-43(67-71-55-27-11-15-31-59(55)75-67)38-44(36-40)68-72-56-28-12-16-32-60(56)76-68;1-3-19-47(45(17-1)41-33-37-43(38-34-41)65-67-57-29-13-15-31-59(57)69-65)61-49-21-5-9-25-53(49)63(54-26-10-6-22-50(54)61)64-55-27-11-7-23-51(55)62(52-24-8-12-28-56(52)64)48-20-4-2-18-46(48)42-35-39-44(40-36-42)66-68-58-30-14-16-32-60(58)70-66;1-5-17-49-45(13-1)57(41-29-25-39-35-43(31-27-37(39)33-41)61-63-53-21-9-11-23-55(53)65-61)46-14-2-6-18-50(46)59(49)60-51-19-7-3-15-47(51)58(48-16-4-8-20-52(48)60)42-30-26-40-36-44(32-28-38(40)34-42)62-64-54-22-10-12-24-56(54)66-62;57-55(58,59)35-25-27-45-47(29-35)65-53(63-45)33-21-17-31(18-22-33)49-37-9-1-5-13-41(37)51(42-14-6-2-10-38(42)49)52-43-15-7-3-11-39(43)50(40-12-4-8-16-44(40)52)32-19-23-34(24-20-32)54-64-46-28-26-36(56(60,61)62)30-48(46)66-54;1-5-23-41-37(19-1)49(33-15-13-17-35(31-33)53-55-45-27-9-11-29-47(45)57-53)38-20-2-6-24-42(38)51(41)52-43-25-7-3-21-39(43)50(40-22-4-8-26-44(40)52)34-16-14-18-36(32-34)54-56-46-28-10-12-30-48(46)58-54/h1-38H;1-40H;1-36H;1-30H;1-32H
• InChIKey: GNGQRWCSWRMFCC-UHFFFAOYSA-N
• XLogP: 91.50
• TPSA: 154.68 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 336
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4519.65
LogP ≤ 5	91.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzothiazol-2-yl)-5-[10-[10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[6-[10-[10-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]naphthalen-2-yl]-1,3-benzothiazole;2-[3-[10-[10-[3-(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[4-[2-[10-[10-[2-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]phenyl]-1,3-benzothiazole;6-(trifluoromethyl)-2-[4-[10-[10-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole?

The IUPAC name of 2-[3-(1,3-benzothiazol-2-yl)-5-[10-[10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[6-[10-[10-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]naphthalen-2-yl]-1,3-benzothiazole;2-[3-[10-[10-[3-(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[4-[2-[10-[10-[2-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]phenyl]-1,3-benzothiazole;6-(trifluoromethyl)-2-[4-[10-[10-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole (CID 158307561) is 2-[3-(1,3-benzothiazol-2-yl)-5-[10-[10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[6-[10-[10-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]naphthalen-2-yl]-1,3-benzothiazole;2-[3-[10-[10-[3-(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[4-[2-[10-[10-[2-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]phenyl]-1,3-benzothiazole;6-(trifluoromethyl)-2-[4-[10-[10-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole.

What is the SMILES notation for 2-[3-(1,3-benzothiazol-2-yl)-5-[10-[10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[6-[10-[10-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]naphthalen-2-yl]-1,3-benzothiazole;2-[3-[10-[10-[3-(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[4-[2-[10-[10-[2-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]phenyl]-1,3-benzothiazole;6-(trifluoromethyl)-2-[4-[10-[10-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole?

The canonical SMILES for 2-[3-(1,3-benzothiazol-2-yl)-5-[10-[10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[6-[10-[10-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]naphthalen-2-yl]-1,3-benzothiazole;2-[3-[10-[10-[3-(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[4-[2-[10-[10-[2-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]phenyl]-1,3-benzothiazole;6-(trifluoromethyl)-2-[4-[10-[10-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole is FC(F)(F)c1ccc2nc(-c3ccc(-c4c5ccccc5c(-c5c6ccccc6c(-c6ccc(-c7nc8ccc(C(F)(F)F)cc8s7)cc6)c6ccccc56)c5ccccc45)cc3)sc2c1.c1cc(-c2nc3ccccc3s2)cc(-c2c3ccccc3c(-c3c4ccccc4c(-c4cccc(-c5nc6ccccc6s5)c4)c4ccccc34)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccccc4-c4ccc(-c5nc6ccccc6s5)cc4)c4ccccc34)c3ccccc23)c(-c2ccc(-c3nc4ccccc4s3)cc2)c1.c1ccc2sc(-c3cc(-c4nc5ccccc5s4)cc(-c4c5ccccc5c(-c5c6ccccc6c(-c6cc(-c7nc8ccccc8s7)cc(-c7nc8ccccc8s7)c6)c6ccccc56)c5ccccc45)c3)nc2c1.c1ccc2sc(-c3ccc4cc(-c5c6ccccc6c(-c6c7ccccc7c(-c7ccc8cc(-c9nc%10ccccc%10s9)ccc8c7)c7ccccc67)c6ccccc56)ccc4c3)nc2c1.

What is the InChIKey of 2-[3-(1,3-benzothiazol-2-yl)-5-[10-[10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[6-[10-[10-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]naphthalen-2-yl]-1,3-benzothiazole;2-[3-[10-[10-[3-(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[4-[2-[10-[10-[2-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]phenyl]-1,3-benzothiazole;6-(trifluoromethyl)-2-[4-[10-[10-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole?

The InChIKey is GNGQRWCSWRMFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H38N4S4.C66H40N2S2.C62H36N2S2.C56H30F6N2S2.C54H32N2S2/c1-5-21-49-45(17-1)61(39-33-41(65-69-53-25-9-13-29-57(53)73-65)37-42(34-39)66-70-54-26-10-14-30-58(54)74-66)46-18-2-6-22-50(46)63(49)64-51-23-7-3-19-47(51)62(48-20-4-8-24-52(48)64)40-35-43(67-71-55-27-11-15-31-59(55)75-67)38-44(36-40)68-72-56-28-12-16-32-60(56)76-68;1-3-19-47(45(17-1)41-33-37-43(38-34-41)65-67-57-29-13-15-31-59(57)69-65)61-49-21-5-9-25-53(49)63(54-26-10-6-22-50(54)61)64-55-27-11-7-23-51(55)62(52-24-8-12-28-56(52)64)48-20-4-2-18-46(48)42-35-39-44(40-36-42)66-68-58-30-14-16-32-60(58)70-66;1-5-17-49-45(13-1)57(41-29-25-39-35-43(31-27-37(39)33-41)61-63-53-21-9-11-23-55(53)65-61)46-14-2-6-18-50(46)59(49)60-51-19-7-3-15-47(51)58(48-16-4-8-20-52(48)60)42-30-26-40-36-44(32-28-38(40)34-42)62-64-54-22-10-12-24-56(54)66-62;57-55(58,59)35-25-27-45-47(29-35)65-53(63-45)33-21-17-31(18-22-33)49-37-9-1-5-13-41(37)51(42-14-6-2-10-38(42)49)52-43-15-7-3-11-39(43)50(40-12-4-8-16-44(40)52)32-19-23-34(24-20-32)54-64-46-28-26-36(56(60,61)62)30-48(46)66-54;1-5-23-41-37(19-1)49(33-15-13-17-35(31-33)53-55-45-27-9-11-29-47(45)57-53)38-20-2-6-24-42(38)51(41)52-43-25-7-3-21-39(43)50(40-22-4-8-26-44(40)52)34-16-14-18-36(32-34)54-56-46-28-10-12-30-48(46)58-54/h1-38H;1-40H;1-36H;1-30H;1-32H.

What are the key properties of 2-[3-(1,3-benzothiazol-2-yl)-5-[10-[10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[6-[10-[10-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]naphthalen-2-yl]-1,3-benzothiazole;2-[3-[10-[10-[3-(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[4-[2-[10-[10-[2-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]phenyl]-1,3-benzothiazole;6-(trifluoromethyl)-2-[4-[10-[10-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole?

2-[3-(1,3-benzothiazol-2-yl)-5-[10-[10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[6-[10-[10-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]naphthalen-2-yl]-1,3-benzothiazole;2-[3-[10-[10-[3-(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[4-[2-[10-[10-[2-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]phenyl]-1,3-benzothiazole;6-(trifluoromethyl)-2-[4-[10-[10-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole has a molecular weight of 4519.65 g/mol, XLogP of 91.50, 29 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(1,3-benzothiazol-2-yl)-5-[10-[10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[6-[10-[10-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]naphthalen-2-yl]-1,3-benzothiazole;2-[3-[10-[10-[3-(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole;2-[4-[2-[10-[10-[2-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]phenyl]-1,3-benzothiazole;6-(trifluoromethyl)-2-[4-[10-[10-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-benzothiazole is sourced from PubChem (CID 158307561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).