Bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene
C221H159N5O4S2 — CID 158250924
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACbis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene
SMILESCC(C)(C)c1ccc(-c2cnc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)o2)cc1.CC(C)(C)c1ccc(-c2ncc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)o2)cc1.CC(C)(C)c1ccc(-c2ncc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)s2)cc1.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)s3)cc2)cc1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)o4)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)o4)c4ccccc34)cccc2c1
InChIInChI=1S/2C43H27NO.C36H24S.2C33H27NO.C33H27NS/c2*1-3-15-30-28(11-1)13-9-21-32(30)38-23-25-40(36-19-7-5-17-34(36)38)42-27-44-43(45-42)41-26-24-39(35-18-6-8-20-37(35)41)33-22-10-14-29-12-2-4-16-31(29)33;1-2-9-25(10-3-1)26-17-19-28(20-18-26)35-23-24-36(37-35)34-22-21-33(31-14-6-7-15-32(31)34)30-16-8-12-27-11-4-5-13-29(27)30;1-33(2,3)24-17-15-23(16-18-24)32-34-21-31(35-32)30-20-19-29(27-12-6-7-13-28(27)30)26-14-8-10-22-9-4-5-11-25(22)26;1-33(2,3)24-17-15-23(16-18-24)31-21-34-32(35-31)30-20-19-29(27-12-6-7-13-28(27)30)26-14-8-10-22-9-4-5-11-25(22)26;1-33(2,3)24-17-15-23(16-18-24)32-34-21-31(35-32)30-20-19-29(27-12-6-7-13-28(27)30)26-14-8-10-22-9-4-5-11-25(22)26/h2*1-27H;1-24H;3*4-21H,1-3H3
InChIKeyGGRZXBNMTDOADS-UHFFFAOYSA-N
MW3012.87 g/mol
LogP62.94
Rot. Bonds21
About Bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene
Bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene (PubChem CID 158250924) has the molecular formula C221H159N5O4S2 and a molecular weight of 3012.87 g/mol. Its IUPAC name is bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene.
Molecular Properties
| Compound Name | Bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene |
|---|---|
| PubChem CID | 158250924 |
| Molecular Formula | C221H159N5O4S2 |
| Molecular Weight | 3012.87 g/mol |
| Exact Mass | 3010.18 |
| IUPAC Name | bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene |
| SMILES | CC(C)(C)c1ccc(-c2cnc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)o2)cc1.CC(C)(C)c1ccc(-c2ncc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)o2)cc1.CC(C)(C)c1ccc(-c2ncc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)s2)cc1.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)s3)cc2)cc1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)o4)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)o4)c4ccccc34)cccc2c1 |
| InChI | InChI=1S/2C43H27NO.C36H24S.2C33H27NO.C33H27NS/c2*1-3-15-30-28(11-1)13-9-21-32(30)38-23-25-40(36-19-7-5-17-34(36)38)42-27-44-43(45-42)41-26-24-39(35-18-6-8-20-37(35)41)33-22-10-14-29-12-2-4-16-31(29)33;1-2-9-25(10-3-1)26-17-19-28(20-18-26)35-23-24-36(37-35)34-22-21-33(31-14-6-7-15-32(31)34)30-16-8-12-27-11-4-5-13-29(27)30;1-33(2,3)24-17-15-23(16-18-24)32-34-21-31(35-32)30-20-19-29(27-12-6-7-13-28(27)30)26-14-8-10-22-9-4-5-11-25(22)26;1-33(2,3)24-17-15-23(16-18-24)31-21-34-32(35-31)30-20-19-29(27-12-6-7-13-28(27)30)26-14-8-10-22-9-4-5-11-25(22)26;1-33(2,3)24-17-15-23(16-18-24)32-34-21-31(35-32)30-20-19-29(27-12-6-7-13-28(27)30)26-14-8-10-22-9-4-5-11-25(22)26/h2*1-27H;1-24H;3*4-21H,1-3H3 |
| InChIKey | GGRZXBNMTDOADS-UHFFFAOYSA-N |
| XLogP | 62.94 |
| TPSA | 117.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 232 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3012.87 |
| LogP ≤ 5 | 62.94 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
Frequently Asked Questions
What is the IUPAC name of Bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene?
The IUPAC name of Bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene (CID 158250924) is bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene.
What is the SMILES notation for Bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene?
The canonical SMILES for Bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene is CC(C)(C)c1ccc(-c2cnc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)o2)cc1.CC(C)(C)c1ccc(-c2ncc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)o2)cc1.CC(C)(C)c1ccc(-c2ncc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)s2)cc1.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)s3)cc2)cc1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)o4)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)o4)c4ccccc34)cccc2c1.
What is the InChIKey of Bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene?
The InChIKey is GGRZXBNMTDOADS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H27NO.C36H24S.2C33H27NO.C33H27NS/c2*1-3-15-30-28(11-1)13-9-21-32(30)38-23-25-40(36-19-7-5-17-34(36)38)42-27-44-43(45-42)41-26-24-39(35-18-6-8-20-37(35)41)33-22-10-14-29-12-2-4-16-31(29)33;1-2-9-25(10-3-1)26-17-19-28(20-18-26)35-23-24-36(37-35)34-22-21-33(31-14-6-7-15-32(31)34)30-16-8-12-27-11-4-5-13-29(27)30;1-33(2,3)24-17-15-23(16-18-24)32-34-21-31(35-32)30-20-19-29(27-12-6-7-13-28(27)30)26-14-8-10-22-9-4-5-11-25(22)26;1-33(2,3)24-17-15-23(16-18-24)31-21-34-32(35-31)30-20-19-29(27-12-6-7-13-28(27)30)26-14-8-10-22-9-4-5-11-25(22)26;1-33(2,3)24-17-15-23(16-18-24)32-34-21-31(35-32)30-20-19-29(27-12-6-7-13-28(27)30)26-14-8-10-22-9-4-5-11-25(22)26/h2*1-27H;1-24H;3*4-21H,1-3H3.
What are the key properties of Bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene?
Bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene has a molecular weight of 3012.87 g/mol, XLogP of 62.94, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for Bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene is sourced from PubChem (CID 158250924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158250924 — identifiers, structure, computed properties (public domain)
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