3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran;3-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole

C179H117N5O4S8 — CID 158877306

IUPAC3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran;3-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole
SMILESc1ccc(-c2ccccc2-c2sc(-c3cnoc3-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3conc3-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3ncoc3-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3ncsc3-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3oc4ccccc4c3-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3scnc3-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C34H22OS.3C29H19NOS.2C29H19NS2/c1-3-13-23(14-4-1)25-17-7-8-18-26(25)33-27-19-9-10-20-28(27)34(36-33)32-31(24-15-5-2-6-16-24)29-21-11-12-22-30(29)35-32;1-3-11-20(12-4-1)22-15-7-8-16-23(22)28-24-17-9-10-18-25(24)29(32-28)26-27(31-19-30-26)21-13-5-2-6-14-21;1-3-11-20(12-4-1)22-15-7-8-16-23(22)28-24-17-9-10-18-25(24)29(32-28)26-19-31-30-27(26)21-13-5-2-6-14-21;1-3-11-20(12-4-1)22-15-7-8-16-23(22)28-24-17-9-10-18-25(24)29(32-28)26-19-30-31-27(26)21-13-5-2-6-14-21;1-3-11-20(12-4-1)22-15-7-8-16-23(22)28-24-17-9-10-18-25(24)29(32-28)26-27(31-19-30-26)21-13-5-2-6-14-21;1-3-11-20(12-4-1)22-15-7-8-16-23(22)27-24-17-9-10-18-25(24)28(32-27)29-26(30-19-31-29)21-13-5-2-6-14-21/h1-22H;5*1-19H
InChIKeyJCPDQNILICSPDC-UHFFFAOYSA-N
MW2658.47 g/mol
LogP54.04
Rot. Bonds24

About 3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran;3-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole

3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran;3-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole (PubChem CID 158877306) has the molecular formula C179H117N5O4S8 and a molecular weight of 2658.47 g/mol. Its IUPAC name is 3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran;3-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran;3-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole
PubChem CID158877306
Molecular FormulaC179H117N5O4S8
Molecular Weight2658.47 g/mol
Exact Mass2655.69
IUPAC Name3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran;3-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole
SMILESc1ccc(-c2ccccc2-c2sc(-c3cnoc3-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3conc3-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3ncoc3-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3ncsc3-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3oc4ccccc4c3-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3scnc3-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C34H22OS.3C29H19NOS.2C29H19NS2/c1-3-13-23(14-4-1)25-17-7-8-18-26(25)33-27-19-9-10-20-28(27)34(36-33)32-31(24-15-5-2-6-16-24)29-21-11-12-22-30(29)35-32;1-3-11-20(12-4-1)22-15-7-8-16-23(22)28-24-17-9-10-18-25(24)29(32-28)26-27(31-19-30-26)21-13-5-2-6-14-21;1-3-11-20(12-4-1)22-15-7-8-16-23(22)28-24-17-9-10-18-25(24)29(32-28)26-19-31-30-27(26)21-13-5-2-6-14-21;1-3-11-20(12-4-1)22-15-7-8-16-23(22)28-24-17-9-10-18-25(24)29(32-28)26-19-30-31-27(26)21-13-5-2-6-14-21;1-3-11-20(12-4-1)22-15-7-8-16-23(22)28-24-17-9-10-18-25(24)29(32-28)26-27(31-19-30-26)21-13-5-2-6-14-21;1-3-11-20(12-4-1)22-15-7-8-16-23(22)27-24-17-9-10-18-25(24)28(32-27)29-26(30-19-31-29)21-13-5-2-6-14-21/h1-22H;5*1-19H
InChIKeyJCPDQNILICSPDC-UHFFFAOYSA-N
XLogP54.04
TPSA117.01 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms196
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002658.47
LogP ≤ 554.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran;3-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran;3-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole?
The IUPAC name of 3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran;3-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole (CID 158877306) is 3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran;3-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole.
What is the SMILES notation for 3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran;3-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole?
The canonical SMILES for 3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran;3-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole is c1ccc(-c2ccccc2-c2sc(-c3cnoc3-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3conc3-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3ncoc3-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3ncsc3-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3oc4ccccc4c3-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3scnc3-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran;3-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole?
The InChIKey is JCPDQNILICSPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22OS.3C29H19NOS.2C29H19NS2/c1-3-13-23(14-4-1)25-17-7-8-18-26(25)33-27-19-9-10-20-28(27)34(36-33)32-31(24-15-5-2-6-16-24)29-21-11-12-22-30(29)35-32;1-3-11-20(12-4-1)22-15-7-8-16-23(22)28-24-17-9-10-18-25(24)29(32-28)26-27(31-19-30-26)21-13-5-2-6-14-21;1-3-11-20(12-4-1)22-15-7-8-16-23(22)28-24-17-9-10-18-25(24)29(32-28)26-19-31-30-27(26)21-13-5-2-6-14-21;1-3-11-20(12-4-1)22-15-7-8-16-23(22)28-24-17-9-10-18-25(24)29(32-28)26-19-30-31-27(26)21-13-5-2-6-14-21;1-3-11-20(12-4-1)22-15-7-8-16-23(22)28-24-17-9-10-18-25(24)29(32-28)26-27(31-19-30-26)21-13-5-2-6-14-21;1-3-11-20(12-4-1)22-15-7-8-16-23(22)27-24-17-9-10-18-25(24)28(32-27)29-26(30-19-31-29)21-13-5-2-6-14-21/h1-22H;5*1-19H.
What are the key properties of 3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran;3-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole?
3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran;3-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole has a molecular weight of 2658.47 g/mol, XLogP of 54.04, 24 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran;3-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,2-oxazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;4-phenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole;5-phenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1,3-thiazole is sourced from PubChem (CID 158877306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).