1-(2,4-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(2,5-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylfuran-2-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylthiophen-2-yl)-3-phenyl-2-benzofuran;2-phenyl-4-[3-phenyl-2-(3-phenyl-2-benzofuran-1-yl)phenyl]-1,3-oxazole

C155H103NO9S — CID 161044211

IUPAC1-(2,4-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(2,5-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylfuran-2-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylthiophen-2-yl)-3-phenyl-2-benzofuran;2-phenyl-4-[3-phenyl-2-(3-phenyl-2-benzofuran-1-yl)phenyl]-1,3-oxazole
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3oc(-c4ccccc4)c4ccccc34)o2)cc1.c1ccc(-c2cc(-c3ccccc3)c(-c3oc(-c4ccccc4)c4ccccc34)s2)cc1.c1ccc(-c2cc(-c3oc(-c4ccccc4)c4ccccc34)c(-c3ccccc3)o2)cc1.c1ccc(-c2coc(-c3ccccc3)c2-c2oc(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3-c3oc(-c4ccccc4)c4ccccc34)co2)cc1
InChIInChI=1S/C35H23NO2.3C30H20O2.C30H20OS/c1-4-13-24(14-5-1)27-21-12-22-30(31-23-37-35(36-31)26-17-8-3-9-18-26)32(27)34-29-20-11-10-19-28(29)33(38-34)25-15-6-2-7-16-25;1-4-12-21(13-5-1)27-20-26(29(31-27)23-16-8-3-9-17-23)30-25-19-11-10-18-24(25)28(32-30)22-14-6-2-7-15-22;1-4-12-21(13-5-1)26-20-31-29(23-16-8-3-9-17-23)27(26)30-25-19-11-10-18-24(25)28(32-30)22-14-6-2-7-15-22;1-4-12-21(13-5-1)26-20-27(22-14-6-2-7-15-22)31-30(26)29-25-19-11-10-18-24(25)28(32-29)23-16-8-3-9-17-23;1-4-12-21(13-5-1)26-20-27(22-14-6-2-7-15-22)32-30(26)29-25-19-11-10-18-24(25)28(31-29)23-16-8-3-9-17-23/h1-23H;4*1-20H
InChIKeyUBGYUEFPJYHQRH-UHFFFAOYSA-N
MW2155.59 g/mol
LogP45.00
Rot. Bonds21

About 1-(2,4-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(2,5-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylfuran-2-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylthiophen-2-yl)-3-phenyl-2-benzofuran;2-phenyl-4-[3-phenyl-2-(3-phenyl-2-benzofuran-1-yl)phenyl]-1,3-oxazole

1-(2,4-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(2,5-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylfuran-2-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylthiophen-2-yl)-3-phenyl-2-benzofuran;2-phenyl-4-[3-phenyl-2-(3-phenyl-2-benzofuran-1-yl)phenyl]-1,3-oxazole (PubChem CID 161044211) has the molecular formula C155H103NO9S and a molecular weight of 2155.59 g/mol. Its IUPAC name is 1-(2,4-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(2,5-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylfuran-2-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylthiophen-2-yl)-3-phenyl-2-benzofuran;2-phenyl-4-[3-phenyl-2-(3-phenyl-2-benzofuran-1-yl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name1-(2,4-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(2,5-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylfuran-2-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylthiophen-2-yl)-3-phenyl-2-benzofuran;2-phenyl-4-[3-phenyl-2-(3-phenyl-2-benzofuran-1-yl)phenyl]-1,3-oxazole
PubChem CID161044211
Molecular FormulaC155H103NO9S
Molecular Weight2155.59 g/mol
Exact Mass2153.74
IUPAC Name1-(2,4-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(2,5-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylfuran-2-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylthiophen-2-yl)-3-phenyl-2-benzofuran;2-phenyl-4-[3-phenyl-2-(3-phenyl-2-benzofuran-1-yl)phenyl]-1,3-oxazole
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3oc(-c4ccccc4)c4ccccc34)o2)cc1.c1ccc(-c2cc(-c3ccccc3)c(-c3oc(-c4ccccc4)c4ccccc34)s2)cc1.c1ccc(-c2cc(-c3oc(-c4ccccc4)c4ccccc34)c(-c3ccccc3)o2)cc1.c1ccc(-c2coc(-c3ccccc3)c2-c2oc(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3-c3oc(-c4ccccc4)c4ccccc34)co2)cc1
InChIInChI=1S/C35H23NO2.3C30H20O2.C30H20OS/c1-4-13-24(14-5-1)27-21-12-22-30(31-23-37-35(36-31)26-17-8-3-9-18-26)32(27)34-29-20-11-10-19-28(29)33(38-34)25-15-6-2-7-16-25;1-4-12-21(13-5-1)27-20-26(29(31-27)23-16-8-3-9-17-23)30-25-19-11-10-18-24(25)28(32-30)22-14-6-2-7-15-22;1-4-12-21(13-5-1)26-20-31-29(23-16-8-3-9-17-23)27(26)30-25-19-11-10-18-24(25)28(32-30)22-14-6-2-7-15-22;1-4-12-21(13-5-1)26-20-27(22-14-6-2-7-15-22)31-30(26)29-25-19-11-10-18-24(25)28(32-29)23-16-8-3-9-17-23;1-4-12-21(13-5-1)26-20-27(22-14-6-2-7-15-22)32-30(26)29-25-19-11-10-18-24(25)28(31-29)23-16-8-3-9-17-23/h1-23H;4*1-20H
InChIKeyUBGYUEFPJYHQRH-UHFFFAOYSA-N
XLogP45.00
TPSA131.15 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms166
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002155.59
LogP ≤ 545.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1-(2,4-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(2,5-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylfuran-2-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylthiophen-2-yl)-3-phenyl-2-benzofuran;2-phenyl-4-[3-phenyl-2-(3-phenyl-2-benzofuran-1-yl)phenyl]-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(2,5-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylfuran-2-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylthiophen-2-yl)-3-phenyl-2-benzofuran;2-phenyl-4-[3-phenyl-2-(3-phenyl-2-benzofuran-1-yl)phenyl]-1,3-oxazole?
The IUPAC name of 1-(2,4-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(2,5-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylfuran-2-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylthiophen-2-yl)-3-phenyl-2-benzofuran;2-phenyl-4-[3-phenyl-2-(3-phenyl-2-benzofuran-1-yl)phenyl]-1,3-oxazole (CID 161044211) is 1-(2,4-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(2,5-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylfuran-2-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylthiophen-2-yl)-3-phenyl-2-benzofuran;2-phenyl-4-[3-phenyl-2-(3-phenyl-2-benzofuran-1-yl)phenyl]-1,3-oxazole.
What is the SMILES notation for 1-(2,4-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(2,5-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylfuran-2-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylthiophen-2-yl)-3-phenyl-2-benzofuran;2-phenyl-4-[3-phenyl-2-(3-phenyl-2-benzofuran-1-yl)phenyl]-1,3-oxazole?
The canonical SMILES for 1-(2,4-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(2,5-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylfuran-2-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylthiophen-2-yl)-3-phenyl-2-benzofuran;2-phenyl-4-[3-phenyl-2-(3-phenyl-2-benzofuran-1-yl)phenyl]-1,3-oxazole is c1ccc(-c2cc(-c3ccccc3)c(-c3oc(-c4ccccc4)c4ccccc34)o2)cc1.c1ccc(-c2cc(-c3ccccc3)c(-c3oc(-c4ccccc4)c4ccccc34)s2)cc1.c1ccc(-c2cc(-c3oc(-c4ccccc4)c4ccccc34)c(-c3ccccc3)o2)cc1.c1ccc(-c2coc(-c3ccccc3)c2-c2oc(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3-c3oc(-c4ccccc4)c4ccccc34)co2)cc1.
What is the InChIKey of 1-(2,4-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(2,5-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylfuran-2-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylthiophen-2-yl)-3-phenyl-2-benzofuran;2-phenyl-4-[3-phenyl-2-(3-phenyl-2-benzofuran-1-yl)phenyl]-1,3-oxazole?
The InChIKey is UBGYUEFPJYHQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23NO2.3C30H20O2.C30H20OS/c1-4-13-24(14-5-1)27-21-12-22-30(31-23-37-35(36-31)26-17-8-3-9-18-26)32(27)34-29-20-11-10-19-28(29)33(38-34)25-15-6-2-7-16-25;1-4-12-21(13-5-1)27-20-26(29(31-27)23-16-8-3-9-17-23)30-25-19-11-10-18-24(25)28(32-30)22-14-6-2-7-15-22;1-4-12-21(13-5-1)26-20-31-29(23-16-8-3-9-17-23)27(26)30-25-19-11-10-18-24(25)28(32-30)22-14-6-2-7-15-22;1-4-12-21(13-5-1)26-20-27(22-14-6-2-7-15-22)31-30(26)29-25-19-11-10-18-24(25)28(32-29)23-16-8-3-9-17-23;1-4-12-21(13-5-1)26-20-27(22-14-6-2-7-15-22)32-30(26)29-25-19-11-10-18-24(25)28(31-29)23-16-8-3-9-17-23/h1-23H;4*1-20H.
What are the key properties of 1-(2,4-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(2,5-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylfuran-2-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylthiophen-2-yl)-3-phenyl-2-benzofuran;2-phenyl-4-[3-phenyl-2-(3-phenyl-2-benzofuran-1-yl)phenyl]-1,3-oxazole?
1-(2,4-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(2,5-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylfuran-2-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylthiophen-2-yl)-3-phenyl-2-benzofuran;2-phenyl-4-[3-phenyl-2-(3-phenyl-2-benzofuran-1-yl)phenyl]-1,3-oxazole has a molecular weight of 2155.59 g/mol, XLogP of 45.00, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(2,5-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylfuran-2-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylthiophen-2-yl)-3-phenyl-2-benzofuran;2-phenyl-4-[3-phenyl-2-(3-phenyl-2-benzofuran-1-yl)phenyl]-1,3-oxazole is sourced from PubChem (CID 161044211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).