2-phenyl-4-[2-(3-phenyl-2-benzothiophen-1-yl)-3-[4-[3-[4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole

C65H41NO2S2 — CID 156552867

IUPAC2-phenyl-4-[2-(3-phenyl-2-benzothiophen-1-yl)-3-[4-[3-[4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc(-c5cccc(-c6cc(-c7ccccc7)c(-c7sc(-c8ccccc8)c8ccccc78)o6)c5)cc4)c3-c3sc(-c4ccccc4)c4ccccc34)co2)cc1
InChIInChI=1S/C65H41NO2S2/c1-5-19-43(20-6-1)56-40-58(68-60(56)64-54-32-16-14-30-52(54)62(70-64)46-23-9-3-10-24-46)49-28-17-27-48(39-49)42-35-37-44(38-36-42)50-33-18-34-55(57-41-67-65(66-57)47-25-11-4-12-26-47)59(50)63-53-31-15-13-29-51(53)61(69-63)45-21-7-2-8-22-45/h1-41H
InChIKeyQDZCLIVPDFCBPM-UHFFFAOYSA-N
MW932.18 g/mol
LogP19.37
Rot. Bonds10

About 2-phenyl-4-[2-(3-phenyl-2-benzothiophen-1-yl)-3-[4-[3-[4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole

2-phenyl-4-[2-(3-phenyl-2-benzothiophen-1-yl)-3-[4-[3-[4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole (PubChem CID 156552867) has the molecular formula C65H41NO2S2 and a molecular weight of 932.18 g/mol. Its IUPAC name is 2-phenyl-4-[2-(3-phenyl-2-benzothiophen-1-yl)-3-[4-[3-[4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-4-[2-(3-phenyl-2-benzothiophen-1-yl)-3-[4-[3-[4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole
PubChem CID156552867
Molecular FormulaC65H41NO2S2
Molecular Weight932.18 g/mol
Exact Mass931.26
IUPAC Name2-phenyl-4-[2-(3-phenyl-2-benzothiophen-1-yl)-3-[4-[3-[4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc(-c5cccc(-c6cc(-c7ccccc7)c(-c7sc(-c8ccccc8)c8ccccc78)o6)c5)cc4)c3-c3sc(-c4ccccc4)c4ccccc34)co2)cc1
InChIInChI=1S/C65H41NO2S2/c1-5-19-43(20-6-1)56-40-58(68-60(56)64-54-32-16-14-30-52(54)62(70-64)46-23-9-3-10-24-46)49-28-17-27-48(39-49)42-35-37-44(38-36-42)50-33-18-34-55(57-41-67-65(66-57)47-25-11-4-12-26-47)59(50)63-53-31-15-13-29-51(53)61(69-63)45-21-7-2-8-22-45/h1-41H
InChIKeyQDZCLIVPDFCBPM-UHFFFAOYSA-N
XLogP19.37
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.18
LogP ≤ 519.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-4-[2-(3-phenyl-2-benzothiophen-1-yl)-3-[4-[3-[4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole 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 2-phenyl-4-[2-(3-phenyl-2-benzothiophen-1-yl)-3-[4-[3-[4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole?
The IUPAC name of 2-phenyl-4-[2-(3-phenyl-2-benzothiophen-1-yl)-3-[4-[3-[4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole (CID 156552867) is 2-phenyl-4-[2-(3-phenyl-2-benzothiophen-1-yl)-3-[4-[3-[4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-phenyl-4-[2-(3-phenyl-2-benzothiophen-1-yl)-3-[4-[3-[4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-phenyl-4-[2-(3-phenyl-2-benzothiophen-1-yl)-3-[4-[3-[4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole is c1ccc(-c2nc(-c3cccc(-c4ccc(-c5cccc(-c6cc(-c7ccccc7)c(-c7sc(-c8ccccc8)c8ccccc78)o6)c5)cc4)c3-c3sc(-c4ccccc4)c4ccccc34)co2)cc1.
What is the InChIKey of 2-phenyl-4-[2-(3-phenyl-2-benzothiophen-1-yl)-3-[4-[3-[4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole?
The InChIKey is QDZCLIVPDFCBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41NO2S2/c1-5-19-43(20-6-1)56-40-58(68-60(56)64-54-32-16-14-30-52(54)62(70-64)46-23-9-3-10-24-46)49-28-17-27-48(39-49)42-35-37-44(38-36-42)50-33-18-34-55(57-41-67-65(66-57)47-25-11-4-12-26-47)59(50)63-53-31-15-13-29-51(53)61(69-63)45-21-7-2-8-22-45/h1-41H.
What are the key properties of 2-phenyl-4-[2-(3-phenyl-2-benzothiophen-1-yl)-3-[4-[3-[4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole?
2-phenyl-4-[2-(3-phenyl-2-benzothiophen-1-yl)-3-[4-[3-[4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole has a molecular weight of 932.18 g/mol, XLogP of 19.37, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[2-(3-phenyl-2-benzothiophen-1-yl)-3-[4-[3-[4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]phenyl]-1,3-oxazole is sourced from PubChem (CID 156552867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).