2-[3-[3,5-bis[3-(1,3-thiazol-2-yl)phenyl]phenyl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-thiazole

C177H109N11O4S7 — CID 157157789

About 2-[3-[3,5-bis[3-(1,3-thiazol-2-yl)phenyl]phenyl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-thiazole

2-[3-[3,5-bis[3-(1,3-thiazol-2-yl)phenyl]phenyl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-thiazole (PubChem CID 157157789) has the molecular formula C177H109N11O4S7 and a molecular weight of 2678.36 g/mol. Its IUPAC name is 2-[3-[3,5-bis[3-(1,3-thiazol-2-yl)phenyl]phenyl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[3-[3,5-bis[3-(1,3-thiazol-2-yl)phenyl]phenyl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-thiazole
• PubChem CID: 157157789
• Molecular Formula: C177H109N11O4S7
• Molecular Weight: 2678.36 g/mol
• Exact Mass: 2675.67
• IUPAC Name: 2-[3-[3,5-bis[3-(1,3-thiazol-2-yl)phenyl]phenyl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-thiazole
• SMILES: c1cc(-c2cc(-c3cccc(-c4nccs4)c3)cc(-c3cccc(-c4nccs4)c3)c2)cc(-c2nccs2)c1.c1cc(-c2ncco2)cc(-c2c3ccccc3c(-c3cccc(-c4ncco4)c3)c3cc4ccccc4cc23)c1.c1cc(-c2ncco2)cc(-c2cc3c4ccccc4c(-c4cccc(-c5ncco5)c4)cc3c3ccccc23)c1.c1cc(-c2nccs2)cc(-c2c3ccccc3c(-c3cccc(-c4nccs4)c3)c3cc4ccccc4cc23)c1.c1cc(-c2nccs2)cc(-c2cc3c4ccccc4c(-c4cccc(-c5nccs5)c4)cc3c3ccccc23)c1
• InChI: InChI=1S/2C36H22N2O2.2C36H22N2S2.C33H21N3S3/c1-3-13-29-27(11-1)31(23-7-5-9-25(19-23)35-37-15-17-39-35)21-34-30-14-4-2-12-28(30)32(22-33(29)34)24-8-6-10-26(20-24)36-38-16-18-40-36;1-2-8-24-22-32-31(21-23(24)7-1)33(25-9-5-11-27(19-25)35-37-15-17-39-35)29-13-3-4-14-30(29)34(32)26-10-6-12-28(20-26)36-38-16-18-40-36;1-3-13-29-27(11-1)31(23-7-5-9-25(19-23)35-37-15-17-39-35)21-34-30-14-4-2-12-28(30)32(22-33(29)34)24-8-6-10-26(20-24)36-38-16-18-40-36;1-2-8-24-22-32-31(21-23(24)7-1)33(25-9-5-11-27(19-25)35-37-15-17-39-35)29-13-3-4-14-30(29)34(32)26-10-6-12-28(20-26)36-38-16-18-40-36;1-4-22(16-25(7-1)31-34-10-13-37-31)28-19-29(23-5-2-8-26(17-23)32-35-11-14-38-32)21-30(20-28)24-6-3-9-27(18-24)33-36-12-15-39-33/h4*1-22H;1-21H
• InChIKey: AMABOXCBHAPKQK-UHFFFAOYSA-N
• XLogP: 51.09
• TPSA: 194.35 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2678.36
LogP ≤ 5	51.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-bis[3-(1,3-thiazol-2-yl)phenyl]phenyl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-thiazole?

The IUPAC name of 2-[3-[3,5-bis[3-(1,3-thiazol-2-yl)phenyl]phenyl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-thiazole (CID 157157789) is 2-[3-[3,5-bis[3-(1,3-thiazol-2-yl)phenyl]phenyl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-thiazole.

What is the SMILES notation for 2-[3-[3,5-bis[3-(1,3-thiazol-2-yl)phenyl]phenyl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-thiazole?

The canonical SMILES for 2-[3-[3,5-bis[3-(1,3-thiazol-2-yl)phenyl]phenyl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-thiazole is c1cc(-c2cc(-c3cccc(-c4nccs4)c3)cc(-c3cccc(-c4nccs4)c3)c2)cc(-c2nccs2)c1.c1cc(-c2ncco2)cc(-c2c3ccccc3c(-c3cccc(-c4ncco4)c3)c3cc4ccccc4cc23)c1.c1cc(-c2ncco2)cc(-c2cc3c4ccccc4c(-c4cccc(-c5ncco5)c4)cc3c3ccccc23)c1.c1cc(-c2nccs2)cc(-c2c3ccccc3c(-c3cccc(-c4nccs4)c3)c3cc4ccccc4cc23)c1.c1cc(-c2nccs2)cc(-c2cc3c4ccccc4c(-c4cccc(-c5nccs5)c4)cc3c3ccccc23)c1.

What is the InChIKey of 2-[3-[3,5-bis[3-(1,3-thiazol-2-yl)phenyl]phenyl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-thiazole?

The InChIKey is AMABOXCBHAPKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H22N2O2.2C36H22N2S2.C33H21N3S3/c1-3-13-29-27(11-1)31(23-7-5-9-25(19-23)35-37-15-17-39-35)21-34-30-14-4-2-12-28(30)32(22-33(29)34)24-8-6-10-26(20-24)36-38-16-18-40-36;1-2-8-24-22-32-31(21-23(24)7-1)33(25-9-5-11-27(19-25)35-37-15-17-39-35)29-13-3-4-14-30(29)34(32)26-10-6-12-28(20-26)36-38-16-18-40-36;1-3-13-29-27(11-1)31(23-7-5-9-25(19-23)35-37-15-17-39-35)21-34-30-14-4-2-12-28(30)32(22-33(29)34)24-8-6-10-26(20-24)36-38-16-18-40-36;1-2-8-24-22-32-31(21-23(24)7-1)33(25-9-5-11-27(19-25)35-37-15-17-39-35)29-13-3-4-14-30(29)34(32)26-10-6-12-28(20-26)36-38-16-18-40-36;1-4-22(16-25(7-1)31-34-10-13-37-31)28-19-29(23-5-2-8-26(17-23)32-35-11-14-38-32)21-30(20-28)24-6-3-9-27(18-24)33-36-12-15-39-33/h4*1-22H;1-21H.

What are the key properties of 2-[3-[3,5-bis[3-(1,3-thiazol-2-yl)phenyl]phenyl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-thiazole?

2-[3-[3,5-bis[3-(1,3-thiazol-2-yl)phenyl]phenyl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-thiazole has a molecular weight of 2678.36 g/mol, XLogP of 51.09, 22 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-bis[3-(1,3-thiazol-2-yl)phenyl]phenyl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-thiazole is sourced from PubChem (CID 157157789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).