1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran
C172H116N2OS7 — CID 159874105
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran
SMILESCn1c(-c2ccccc2)c(-c2sc(-c3ccccc3-c3ccccc3)c3ccccc23)c2ccccc21.Cn1c(-c2sc(-c3ccccc3-c3ccccc3)c3ccccc23)c(-c2ccccc2)c2ccccc21.c1ccc(-c2ccccc2-c2sc(-c3c(-c4ccccc4)oc4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3c(-c4ccccc4)sc4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3sc4ccccc4c3-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/2C35H25NS.C34H22OS.2C34H22S2/c1-36-31-23-13-12-22-30(31)32(33(36)25-16-6-3-7-17-25)35-29-21-11-10-20-28(29)34(37-35)27-19-9-8-18-26(27)24-14-4-2-5-15-24;1-36-31-23-13-12-22-30(31)32(25-16-6-3-7-17-25)33(36)35-29-21-11-10-20-28(29)34(37-35)27-19-9-8-18-26(27)24-14-4-2-5-15-24;2*1-3-13-23(14-4-1)25-17-7-8-18-26(25)33-27-19-9-10-20-28(27)34(36-33)31-29-21-11-12-22-30(29)35-32(31)24-15-5-2-6-16-24;1-3-13-23(14-4-1)25-17-7-8-18-26(25)32-27-19-9-10-20-28(27)33(36-32)34-31(24-15-5-2-6-16-24)29-21-11-12-22-30(29)35-34/h2*2-23H,1H3;3*1-22H
InChIKeyNSRHYIQNFTZKBY-UHFFFAOYSA-N
MW2451.30 g/mol
LogP52.01
Rot. Bonds20
About 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran
1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran (PubChem CID 159874105) has the molecular formula C172H116N2OS7 and a molecular weight of 2451.30 g/mol. Its IUPAC name is 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran.
Molecular Properties
| Compound Name | 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran |
|---|---|
| PubChem CID | 159874105 |
| Molecular Formula | C172H116N2OS7 |
| Molecular Weight | 2451.30 g/mol |
| Exact Mass | 2448.71 |
| IUPAC Name | 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran |
| SMILES | Cn1c(-c2ccccc2)c(-c2sc(-c3ccccc3-c3ccccc3)c3ccccc23)c2ccccc21.Cn1c(-c2sc(-c3ccccc3-c3ccccc3)c3ccccc23)c(-c2ccccc2)c2ccccc21.c1ccc(-c2ccccc2-c2sc(-c3c(-c4ccccc4)oc4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3c(-c4ccccc4)sc4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3sc4ccccc4c3-c3ccccc3)c3ccccc23)cc1 |
| InChI | InChI=1S/2C35H25NS.C34H22OS.2C34H22S2/c1-36-31-23-13-12-22-30(31)32(33(36)25-16-6-3-7-17-25)35-29-21-11-10-20-28(29)34(37-35)27-19-9-8-18-26(27)24-14-4-2-5-15-24;1-36-31-23-13-12-22-30(31)32(25-16-6-3-7-17-25)33(36)35-29-21-11-10-20-28(29)34(37-35)27-19-9-8-18-26(27)24-14-4-2-5-15-24;2*1-3-13-23(14-4-1)25-17-7-8-18-26(25)33-27-19-9-10-20-28(27)34(36-33)31-29-21-11-12-22-30(29)35-32(31)24-15-5-2-6-16-24;1-3-13-23(14-4-1)25-17-7-8-18-26(25)32-27-19-9-10-20-28(27)33(36-32)34-31(24-15-5-2-6-16-24)29-21-11-12-22-30(29)35-34/h2*2-23H,1H3;3*1-22H |
| InChIKey | NSRHYIQNFTZKBY-UHFFFAOYSA-N |
| XLogP | 52.01 |
| TPSA | 23.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 182 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2451.30 |
| LogP ≤ 5 | 52.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Frequently Asked Questions
What is the IUPAC name of 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran?
The IUPAC name of 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran (CID 159874105) is 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran.
What is the SMILES notation for 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran?
The canonical SMILES for 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran is Cn1c(-c2ccccc2)c(-c2sc(-c3ccccc3-c3ccccc3)c3ccccc23)c2ccccc21.Cn1c(-c2sc(-c3ccccc3-c3ccccc3)c3ccccc23)c(-c2ccccc2)c2ccccc21.c1ccc(-c2ccccc2-c2sc(-c3c(-c4ccccc4)oc4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3c(-c4ccccc4)sc4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3sc4ccccc4c3-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran?
The InChIKey is NSRHYIQNFTZKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H25NS.C34H22OS.2C34H22S2/c1-36-31-23-13-12-22-30(31)32(33(36)25-16-6-3-7-17-25)35-29-21-11-10-20-28(29)34(37-35)27-19-9-8-18-26(27)24-14-4-2-5-15-24;1-36-31-23-13-12-22-30(31)32(25-16-6-3-7-17-25)33(36)35-29-21-11-10-20-28(29)34(37-35)27-19-9-8-18-26(27)24-14-4-2-5-15-24;2*1-3-13-23(14-4-1)25-17-7-8-18-26(25)33-27-19-9-10-20-28(27)34(36-33)31-29-21-11-12-22-30(29)35-32(31)24-15-5-2-6-16-24;1-3-13-23(14-4-1)25-17-7-8-18-26(25)32-27-19-9-10-20-28(27)33(36-32)34-31(24-15-5-2-6-16-24)29-21-11-12-22-30(29)35-34/h2*2-23H,1H3;3*1-22H.
What are the key properties of 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran?
1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran has a molecular weight of 2451.30 g/mol, XLogP of 52.01, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran is sourced from PubChem (CID 159874105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159874105 — identifiers, structure, computed properties (public domain)
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