2-[4,6-bis[3,5-di(quinolin-3-yl)phenyl]-2-pyridinyl]-1,3-benzothiazole;2-[2,5-di(quinolin-3-yl)phenyl]-1,3-benzothiazole;2-[5-[3,5-di(quinolin-3-yl)phenyl]-2-quinolin-3-ylphenyl]-1,3-benzothiazole

C137H83N13S3 — CID 159748223

IUPAC2-[4,6-bis[3,5-di(quinolin-3-yl)phenyl]-2-pyridinyl]-1,3-benzothiazole;2-[2,5-di(quinolin-3-yl)phenyl]-1,3-benzothiazole;2-[5-[3,5-di(quinolin-3-yl)phenyl]-2-quinolin-3-ylphenyl]-1,3-benzothiazole
SMILESc1ccc2ncc(-c3cc(-c4cc(-c5cc(-c6cnc7ccccc7c6)cc(-c6cnc7ccccc7c6)c5)nc(-c5nc6ccccc6s5)c4)cc(-c4cnc5ccccc5c4)c3)cc2c1.c1ccc2ncc(-c3cc(-c4ccc(-c5cnc6ccccc6c5)c(-c5nc6ccccc6s5)c4)cc(-c4cnc5ccccc5c4)c3)cc2c1.c1ccc2ncc(-c3ccc(-c4cnc5ccccc5c4)c(-c4nc5ccccc5s4)c3)cc2c1
InChIInChI=1S/C60H36N6S.C46H28N4S.C31H19N3S/c1-5-15-52-37(11-1)21-48(33-61-52)42-25-41(26-43(27-42)49-22-38-12-2-6-16-53(38)62-34-49)46-31-57(65-58(32-46)60-66-56-19-9-10-20-59(56)67-60)47-29-44(50-23-39-13-3-7-17-54(39)63-35-50)28-45(30-47)51-24-40-14-4-8-18-55(40)64-36-51;1-4-12-41-30(9-1)19-36(26-47-41)34-22-33(23-35(24-34)37-20-31-10-2-5-13-42(31)48-27-37)29-17-18-39(38-21-32-11-3-6-14-43(32)49-28-38)40(25-29)46-50-44-15-7-8-16-45(44)51-46;1-3-9-27-21(7-1)15-23(18-32-27)20-13-14-25(24-16-22-8-2-4-10-28(22)33-19-24)26(17-20)31-34-29-11-5-6-12-30(29)35-31/h1-36H;1-28H;1-19H
InChIKeyNDHYOVQTXZNZIO-UHFFFAOYSA-N
MW2007.46 g/mol
LogP36.22
Rot. Bonds15

About 2-[4,6-bis[3,5-di(quinolin-3-yl)phenyl]-2-pyridinyl]-1,3-benzothiazole;2-[2,5-di(quinolin-3-yl)phenyl]-1,3-benzothiazole;2-[5-[3,5-di(quinolin-3-yl)phenyl]-2-quinolin-3-ylphenyl]-1,3-benzothiazole

2-[4,6-bis[3,5-di(quinolin-3-yl)phenyl]-2-pyridinyl]-1,3-benzothiazole;2-[2,5-di(quinolin-3-yl)phenyl]-1,3-benzothiazole;2-[5-[3,5-di(quinolin-3-yl)phenyl]-2-quinolin-3-ylphenyl]-1,3-benzothiazole (PubChem CID 159748223) has the molecular formula C137H83N13S3 and a molecular weight of 2007.46 g/mol. Its IUPAC name is 2-[4,6-bis[3,5-di(quinolin-3-yl)phenyl]-2-pyridinyl]-1,3-benzothiazole;2-[2,5-di(quinolin-3-yl)phenyl]-1,3-benzothiazole;2-[5-[3,5-di(quinolin-3-yl)phenyl]-2-quinolin-3-ylphenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4,6-bis[3,5-di(quinolin-3-yl)phenyl]-2-pyridinyl]-1,3-benzothiazole;2-[2,5-di(quinolin-3-yl)phenyl]-1,3-benzothiazole;2-[5-[3,5-di(quinolin-3-yl)phenyl]-2-quinolin-3-ylphenyl]-1,3-benzothiazole
PubChem CID159748223
Molecular FormulaC137H83N13S3
Molecular Weight2007.46 g/mol
Exact Mass2005.61
IUPAC Name2-[4,6-bis[3,5-di(quinolin-3-yl)phenyl]-2-pyridinyl]-1,3-benzothiazole;2-[2,5-di(quinolin-3-yl)phenyl]-1,3-benzothiazole;2-[5-[3,5-di(quinolin-3-yl)phenyl]-2-quinolin-3-ylphenyl]-1,3-benzothiazole
SMILESc1ccc2ncc(-c3cc(-c4cc(-c5cc(-c6cnc7ccccc7c6)cc(-c6cnc7ccccc7c6)c5)nc(-c5nc6ccccc6s5)c4)cc(-c4cnc5ccccc5c4)c3)cc2c1.c1ccc2ncc(-c3cc(-c4ccc(-c5cnc6ccccc6c5)c(-c5nc6ccccc6s5)c4)cc(-c4cnc5ccccc5c4)c3)cc2c1.c1ccc2ncc(-c3ccc(-c4cnc5ccccc5c4)c(-c4nc5ccccc5s4)c3)cc2c1
InChIInChI=1S/C60H36N6S.C46H28N4S.C31H19N3S/c1-5-15-52-37(11-1)21-48(33-61-52)42-25-41(26-43(27-42)49-22-38-12-2-6-16-53(38)62-34-49)46-31-57(65-58(32-46)60-66-56-19-9-10-20-59(56)67-60)47-29-44(50-23-39-13-3-7-17-54(39)63-35-50)28-45(30-47)51-24-40-14-4-8-18-55(40)64-36-51;1-4-12-41-30(9-1)19-36(26-47-41)34-22-33(23-35(24-34)37-20-31-10-2-5-13-42(31)48-27-37)29-17-18-39(38-21-32-11-3-6-14-43(32)49-28-38)40(25-29)46-50-44-15-7-8-16-45(44)51-46;1-3-9-27-21(7-1)15-23(18-32-27)20-13-14-25(24-16-22-8-2-4-10-28(22)33-19-24)26(17-20)31-34-29-11-5-6-12-30(29)35-31/h1-36H;1-28H;1-19H
InChIKeyNDHYOVQTXZNZIO-UHFFFAOYSA-N
XLogP36.22
TPSA167.57 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002007.46
LogP ≤ 536.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-[4,6-bis[3,5-di(quinolin-3-yl)phenyl]-2-pyridinyl]-1,3-benzothiazole;2-[2,5-di(quinolin-3-yl)phenyl]-1,3-benzothiazole;2-[5-[3,5-di(quinolin-3-yl)phenyl]-2-quinolin-3-ylphenyl]-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1,10-phenanthrolin-3-yl)-3-quinolin-3-ylphenyl]-1,3-benzothiazole
CID 171459783
2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056561
2-quinolin-3-yl-1,3-benzothiazin-4-one
CID 59750384
2-[3-(1,3-benzothiazol-2-yl)-5-spiro[benzo[b]fluorene-11,9'-thioxanthene]-2-ylphenyl]-1,3-benzothiazole
CID 164783916
2-[4-[4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole
CID 70829910
2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 130389356
5,7-diphenyl-1,3-bis(4-quinolin-3-ylphenyl)isoquinoline
CID 146332413
2-(3-benzo[g]quinolin-2-yl-5-quinolin-3-ylphenyl)benzo[g]quinoline
CID 139364036
2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056267
3-(2,6-dichloro-4-pyridinyl)quinoline
CID 86078303
2-[4-[2,4-dipyridin-3-yl-6-(3-pyridin-3-ylphenyl)phenyl]phenyl]-1,3-benzothiazole
CID 58480046
2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline
CID 155023055

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-bis[3,5-di(quinolin-3-yl)phenyl]-2-pyridinyl]-1,3-benzothiazole;2-[2,5-di(quinolin-3-yl)phenyl]-1,3-benzothiazole;2-[5-[3,5-di(quinolin-3-yl)phenyl]-2-quinolin-3-ylphenyl]-1,3-benzothiazole?
The IUPAC name of 2-[4,6-bis[3,5-di(quinolin-3-yl)phenyl]-2-pyridinyl]-1,3-benzothiazole;2-[2,5-di(quinolin-3-yl)phenyl]-1,3-benzothiazole;2-[5-[3,5-di(quinolin-3-yl)phenyl]-2-quinolin-3-ylphenyl]-1,3-benzothiazole (CID 159748223) is 2-[4,6-bis[3,5-di(quinolin-3-yl)phenyl]-2-pyridinyl]-1,3-benzothiazole;2-[2,5-di(quinolin-3-yl)phenyl]-1,3-benzothiazole;2-[5-[3,5-di(quinolin-3-yl)phenyl]-2-quinolin-3-ylphenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4,6-bis[3,5-di(quinolin-3-yl)phenyl]-2-pyridinyl]-1,3-benzothiazole;2-[2,5-di(quinolin-3-yl)phenyl]-1,3-benzothiazole;2-[5-[3,5-di(quinolin-3-yl)phenyl]-2-quinolin-3-ylphenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[4,6-bis[3,5-di(quinolin-3-yl)phenyl]-2-pyridinyl]-1,3-benzothiazole;2-[2,5-di(quinolin-3-yl)phenyl]-1,3-benzothiazole;2-[5-[3,5-di(quinolin-3-yl)phenyl]-2-quinolin-3-ylphenyl]-1,3-benzothiazole is c1ccc2ncc(-c3cc(-c4cc(-c5cc(-c6cnc7ccccc7c6)cc(-c6cnc7ccccc7c6)c5)nc(-c5nc6ccccc6s5)c4)cc(-c4cnc5ccccc5c4)c3)cc2c1.c1ccc2ncc(-c3cc(-c4ccc(-c5cnc6ccccc6c5)c(-c5nc6ccccc6s5)c4)cc(-c4cnc5ccccc5c4)c3)cc2c1.c1ccc2ncc(-c3ccc(-c4cnc5ccccc5c4)c(-c4nc5ccccc5s4)c3)cc2c1.
What is the InChIKey of 2-[4,6-bis[3,5-di(quinolin-3-yl)phenyl]-2-pyridinyl]-1,3-benzothiazole;2-[2,5-di(quinolin-3-yl)phenyl]-1,3-benzothiazole;2-[5-[3,5-di(quinolin-3-yl)phenyl]-2-quinolin-3-ylphenyl]-1,3-benzothiazole?
The InChIKey is NDHYOVQTXZNZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N6S.C46H28N4S.C31H19N3S/c1-5-15-52-37(11-1)21-48(33-61-52)42-25-41(26-43(27-42)49-22-38-12-2-6-16-53(38)62-34-49)46-31-57(65-58(32-46)60-66-56-19-9-10-20-59(56)67-60)47-29-44(50-23-39-13-3-7-17-54(39)63-35-50)28-45(30-47)51-24-40-14-4-8-18-55(40)64-36-51;1-4-12-41-30(9-1)19-36(26-47-41)34-22-33(23-35(24-34)37-20-31-10-2-5-13-42(31)48-27-37)29-17-18-39(38-21-32-11-3-6-14-43(32)49-28-38)40(25-29)46-50-44-15-7-8-16-45(44)51-46;1-3-9-27-21(7-1)15-23(18-32-27)20-13-14-25(24-16-22-8-2-4-10-28(22)33-19-24)26(17-20)31-34-29-11-5-6-12-30(29)35-31/h1-36H;1-28H;1-19H.
What are the key properties of 2-[4,6-bis[3,5-di(quinolin-3-yl)phenyl]-2-pyridinyl]-1,3-benzothiazole;2-[2,5-di(quinolin-3-yl)phenyl]-1,3-benzothiazole;2-[5-[3,5-di(quinolin-3-yl)phenyl]-2-quinolin-3-ylphenyl]-1,3-benzothiazole?
2-[4,6-bis[3,5-di(quinolin-3-yl)phenyl]-2-pyridinyl]-1,3-benzothiazole;2-[2,5-di(quinolin-3-yl)phenyl]-1,3-benzothiazole;2-[5-[3,5-di(quinolin-3-yl)phenyl]-2-quinolin-3-ylphenyl]-1,3-benzothiazole has a molecular weight of 2007.46 g/mol, XLogP of 36.22, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-bis[3,5-di(quinolin-3-yl)phenyl]-2-pyridinyl]-1,3-benzothiazole;2-[2,5-di(quinolin-3-yl)phenyl]-1,3-benzothiazole;2-[5-[3,5-di(quinolin-3-yl)phenyl]-2-quinolin-3-ylphenyl]-1,3-benzothiazole is sourced from PubChem (CID 159748223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).