6-[2-[3-(1,3-benzothiazol-2-yl)-5-[3-(3-dimethylphosphorylphenyl)phenyl]phenyl]-1,3-benzothiazol-5-yl]-2-[3-[5-[2-[3-(1,3-benzothiazol-2-yl)-5-(4-quinolin-8-ylphenyl)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazol-2-yl]-5-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]-1,3-benzothiazole

C104H63N8OPS6 — CID 139455038

IUPAC6-[2-[3-(1,3-benzothiazol-2-yl)-5-[3-(3-dimethylphosphorylphenyl)phenyl]phenyl]-1,3-benzothiazol-5-yl]-2-[3-[5-[2-[3-(1,3-benzothiazol-2-yl)-5-(4-quinolin-8-ylphenyl)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazol-2-yl]-5-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]-1,3-benzothiazole
SMILESCP(C)(=O)c1cccc(-c2cccc(-c3cc(-c4nc5ccccc5s4)cc(-c4nc5cc(-c6ccc7nc(-c8cc(-c9nc%10cc(-c%11ccc%12sc(-c%13cc(-c%14ccc(-c%15cccc%16cccnc%15%16)cc%14)cc(-c%14nc%15ccccc%15s%14)c%13)nc%12c%11)ccc%10s9)cc(-c9ccc(-c%10cccnc%10)c%10ccccc9%10)c8)sc7c6)ccc5s4)c3)c2)c1
InChIInChI=1S/C104H63N8OPS6/c1-114(2,113)80-20-10-17-65(54-80)63-15-9-16-64(44-63)72-47-76(100-108-87-25-6-8-27-93(87)116-100)52-77(48-72)103-111-91-57-68(35-41-96(91)118-103)69-32-38-88-97(58-69)120-101(109-88)78-49-73(82-37-36-81(70-19-12-42-105-59-70)84-21-3-4-22-85(82)84)50-79(53-78)104-112-90-56-67(34-40-95(90)119-104)66-33-39-94-89(55-66)110-102(117-94)75-46-71(45-74(51-75)99-107-86-24-5-7-26-92(86)115-99)60-28-30-61(31-29-60)83-23-11-14-62-18-13-43-106-98(62)83/h3-59H,1-2H3
InChIKeyBPMMMIZOCPBAHK-UHFFFAOYSA-N
MW1664.08 g/mol
LogP30.03
Rot. Bonds15

About 6-[2-[3-(1,3-benzothiazol-2-yl)-5-[3-(3-dimethylphosphorylphenyl)phenyl]phenyl]-1,3-benzothiazol-5-yl]-2-[3-[5-[2-[3-(1,3-benzothiazol-2-yl)-5-(4-quinolin-8-ylphenyl)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazol-2-yl]-5-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]-1,3-benzothiazole

6-[2-[3-(1,3-benzothiazol-2-yl)-5-[3-(3-dimethylphosphorylphenyl)phenyl]phenyl]-1,3-benzothiazol-5-yl]-2-[3-[5-[2-[3-(1,3-benzothiazol-2-yl)-5-(4-quinolin-8-ylphenyl)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazol-2-yl]-5-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]-1,3-benzothiazole (PubChem CID 139455038) has the molecular formula C104H63N8OPS6 and a molecular weight of 1664.08 g/mol. Its IUPAC name is 6-[2-[3-(1,3-benzothiazol-2-yl)-5-[3-(3-dimethylphosphorylphenyl)phenyl]phenyl]-1,3-benzothiazol-5-yl]-2-[3-[5-[2-[3-(1,3-benzothiazol-2-yl)-5-(4-quinolin-8-ylphenyl)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazol-2-yl]-5-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[2-[3-(1,3-benzothiazol-2-yl)-5-[3-(3-dimethylphosphorylphenyl)phenyl]phenyl]-1,3-benzothiazol-5-yl]-2-[3-[5-[2-[3-(1,3-benzothiazol-2-yl)-5-(4-quinolin-8-ylphenyl)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazol-2-yl]-5-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]-1,3-benzothiazole
PubChem CID139455038
Molecular FormulaC104H63N8OPS6
Molecular Weight1664.08 g/mol
Exact Mass1662.32
IUPAC Name6-[2-[3-(1,3-benzothiazol-2-yl)-5-[3-(3-dimethylphosphorylphenyl)phenyl]phenyl]-1,3-benzothiazol-5-yl]-2-[3-[5-[2-[3-(1,3-benzothiazol-2-yl)-5-(4-quinolin-8-ylphenyl)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazol-2-yl]-5-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]-1,3-benzothiazole
SMILESCP(C)(=O)c1cccc(-c2cccc(-c3cc(-c4nc5ccccc5s4)cc(-c4nc5cc(-c6ccc7nc(-c8cc(-c9nc%10cc(-c%11ccc%12sc(-c%13cc(-c%14ccc(-c%15cccc%16cccnc%15%16)cc%14)cc(-c%14nc%15ccccc%15s%14)c%13)nc%12c%11)ccc%10s9)cc(-c9ccc(-c%10cccnc%10)c%10ccccc9%10)c8)sc7c6)ccc5s4)c3)c2)c1
InChIInChI=1S/C104H63N8OPS6/c1-114(2,113)80-20-10-17-65(54-80)63-15-9-16-64(44-63)72-47-76(100-108-87-25-6-8-27-93(87)116-100)52-77(48-72)103-111-91-57-68(35-41-96(91)118-103)69-32-38-88-97(58-69)120-101(109-88)78-49-73(82-37-36-81(70-19-12-42-105-59-70)84-21-3-4-22-85(82)84)50-79(53-78)104-112-90-56-67(34-40-95(90)119-104)66-33-39-94-89(55-66)110-102(117-94)75-46-71(45-74(51-75)99-107-86-24-5-7-26-92(86)115-99)60-28-30-61(31-29-60)83-23-11-14-62-18-13-43-106-98(62)83/h3-59H,1-2H3
InChIKeyBPMMMIZOCPBAHK-UHFFFAOYSA-N
XLogP30.03
TPSA120.19 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001664.08
LogP ≤ 530.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 6-[2-[3-(1,3-benzothiazol-2-yl)-5-[3-(3-dimethylphosphorylphenyl)phenyl]phenyl]-1,3-benzothiazol-5-yl]-2-[3-[5-[2-[3-(1,3-benzothiazol-2-yl)-5-(4-quinolin-8-ylphenyl)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazol-2-yl]-5-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]-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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(1,3-benzothiazol-2-yl)-5-[3-(3-dimethylphosphorylphenyl)phenyl]phenyl]-1,3-benzothiazol-5-yl]-2-[3-[5-[2-[3-(1,3-benzothiazol-2-yl)-5-(4-quinolin-8-ylphenyl)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazol-2-yl]-5-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]-1,3-benzothiazole?
The IUPAC name of 6-[2-[3-(1,3-benzothiazol-2-yl)-5-[3-(3-dimethylphosphorylphenyl)phenyl]phenyl]-1,3-benzothiazol-5-yl]-2-[3-[5-[2-[3-(1,3-benzothiazol-2-yl)-5-(4-quinolin-8-ylphenyl)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazol-2-yl]-5-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]-1,3-benzothiazole (CID 139455038) is 6-[2-[3-(1,3-benzothiazol-2-yl)-5-[3-(3-dimethylphosphorylphenyl)phenyl]phenyl]-1,3-benzothiazol-5-yl]-2-[3-[5-[2-[3-(1,3-benzothiazol-2-yl)-5-(4-quinolin-8-ylphenyl)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazol-2-yl]-5-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]-1,3-benzothiazole.
What is the SMILES notation for 6-[2-[3-(1,3-benzothiazol-2-yl)-5-[3-(3-dimethylphosphorylphenyl)phenyl]phenyl]-1,3-benzothiazol-5-yl]-2-[3-[5-[2-[3-(1,3-benzothiazol-2-yl)-5-(4-quinolin-8-ylphenyl)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazol-2-yl]-5-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]-1,3-benzothiazole?
The canonical SMILES for 6-[2-[3-(1,3-benzothiazol-2-yl)-5-[3-(3-dimethylphosphorylphenyl)phenyl]phenyl]-1,3-benzothiazol-5-yl]-2-[3-[5-[2-[3-(1,3-benzothiazol-2-yl)-5-(4-quinolin-8-ylphenyl)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazol-2-yl]-5-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]-1,3-benzothiazole is CP(C)(=O)c1cccc(-c2cccc(-c3cc(-c4nc5ccccc5s4)cc(-c4nc5cc(-c6ccc7nc(-c8cc(-c9nc%10cc(-c%11ccc%12sc(-c%13cc(-c%14ccc(-c%15cccc%16cccnc%15%16)cc%14)cc(-c%14nc%15ccccc%15s%14)c%13)nc%12c%11)ccc%10s9)cc(-c9ccc(-c%10cccnc%10)c%10ccccc9%10)c8)sc7c6)ccc5s4)c3)c2)c1.
What is the InChIKey of 6-[2-[3-(1,3-benzothiazol-2-yl)-5-[3-(3-dimethylphosphorylphenyl)phenyl]phenyl]-1,3-benzothiazol-5-yl]-2-[3-[5-[2-[3-(1,3-benzothiazol-2-yl)-5-(4-quinolin-8-ylphenyl)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazol-2-yl]-5-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]-1,3-benzothiazole?
The InChIKey is BPMMMIZOCPBAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H63N8OPS6/c1-114(2,113)80-20-10-17-65(54-80)63-15-9-16-64(44-63)72-47-76(100-108-87-25-6-8-27-93(87)116-100)52-77(48-72)103-111-91-57-68(35-41-96(91)118-103)69-32-38-88-97(58-69)120-101(109-88)78-49-73(82-37-36-81(70-19-12-42-105-59-70)84-21-3-4-22-85(82)84)50-79(53-78)104-112-90-56-67(34-40-95(90)119-104)66-33-39-94-89(55-66)110-102(117-94)75-46-71(45-74(51-75)99-107-86-24-5-7-26-92(86)115-99)60-28-30-61(31-29-60)83-23-11-14-62-18-13-43-106-98(62)83/h3-59H,1-2H3.
What are the key properties of 6-[2-[3-(1,3-benzothiazol-2-yl)-5-[3-(3-dimethylphosphorylphenyl)phenyl]phenyl]-1,3-benzothiazol-5-yl]-2-[3-[5-[2-[3-(1,3-benzothiazol-2-yl)-5-(4-quinolin-8-ylphenyl)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazol-2-yl]-5-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]-1,3-benzothiazole?
6-[2-[3-(1,3-benzothiazol-2-yl)-5-[3-(3-dimethylphosphorylphenyl)phenyl]phenyl]-1,3-benzothiazol-5-yl]-2-[3-[5-[2-[3-(1,3-benzothiazol-2-yl)-5-(4-quinolin-8-ylphenyl)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazol-2-yl]-5-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]-1,3-benzothiazole has a molecular weight of 1664.08 g/mol, XLogP of 30.03, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-(1,3-benzothiazol-2-yl)-5-[3-(3-dimethylphosphorylphenyl)phenyl]phenyl]-1,3-benzothiazol-5-yl]-2-[3-[5-[2-[3-(1,3-benzothiazol-2-yl)-5-(4-quinolin-8-ylphenyl)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzothiazol-2-yl]-5-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]-1,3-benzothiazole is sourced from PubChem (CID 139455038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).