2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;1-phenyl-2-[4-[7-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyren-2-yl]phenyl]benzimidazole;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole

C238H144N18O2S4 — CID 161086309

About 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;1-phenyl-2-[4-[7-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyren-2-yl]phenyl]benzimidazole;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole

2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;1-phenyl-2-[4-[7-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyren-2-yl]phenyl]benzimidazole;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole (PubChem CID 161086309) has the molecular formula C238H144N18O2S4 and a molecular weight of 3416.16 g/mol. Its IUPAC name is 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;1-phenyl-2-[4-[7-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyren-2-yl]phenyl]benzimidazole;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole.

Molecular Properties

• Compound Name: 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;1-phenyl-2-[4-[7-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyren-2-yl]phenyl]benzimidazole;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole
• PubChem CID: 161086309
• Molecular Formula: C238H144N18O2S4
• Molecular Weight: 3416.16 g/mol
• Exact Mass: 3413.06
• IUPAC Name: 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;1-phenyl-2-[4-[7-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyren-2-yl]phenyl]benzimidazole;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole
• SMILES: c1ccc(-c2nc3ccccn3c2-c2ccc(-c3cc4ccc5cc(-c6ccc(-c7c(-c8ccccc8)nc8ccccn78)cc6)cc6ccc(c3)c4c56)cc2)cc1.c1ccc(-c2nnc(-c3ccc(-c4cc5ccc6cc(-c7ccc(-c8nnc(-c9ccccc9)o8)cc7)cc7ccc(c4)c5c67)cc3)o2)cc1.c1ccc(-c2nnc(-c3ccc(-c4cc5ccc6cc(-c7ccc(-c8nnc(-c9ccccc9)s8)cc7)cc7ccc(c4)c5c67)cc3)s2)cc1.c1ccc(-n2c(-c3ccc(-c4cc5ccc6cc(-c7ccc(-c8nc9ccccc9n8-c8ccccc8)cc7)cc7ccc(c4)c5c67)cc3)nc3ccccc32)cc1.c1ccc2sc(-c3ccc(-c4cc5ccc6cc(-c7ccc(-c8nc9ccccc9s8)cc7)cc7ccc(c4)c5c67)cc3)nc2c1
• InChI: InChI=1S/2C54H34N4.C44H26N4O2.C44H26N4S2.C42H24N2S2/c1-3-11-37(12-4-1)51-53(57-29-9-7-15-47(57)55-51)39-21-17-35(18-22-39)45-31-41-25-27-43-33-46(34-44-28-26-42(32-45)49(41)50(43)44)36-19-23-40(24-20-36)54-52(38-13-5-2-6-14-38)56-48-16-8-10-30-58(48)54;1-3-11-45(12-4-1)57-49-17-9-7-15-47(49)55-53(57)37-23-19-35(20-24-37)43-31-39-27-29-41-33-44(34-42-30-28-40(32-43)51(39)52(41)42)36-21-25-38(26-22-36)54-56-48-16-8-10-18-50(48)58(54)46-13-5-2-6-14-46;2*1-3-7-29(8-4-1)41-45-47-43(49-41)31-15-11-27(12-16-31)37-23-33-19-21-35-25-38(26-36-22-20-34(24-37)39(33)40(35)36)28-13-17-32(18-14-28)44-48-46-42(50-44)30-9-5-2-6-10-30;1-3-7-37-35(5-1)43-41(45-37)27-13-9-25(10-14-27)33-21-29-17-19-31-23-34(24-32-20-18-30(22-33)39(29)40(31)32)26-11-15-28(16-12-26)42-44-36-6-2-4-8-38(36)46-42/h2*1-34H;2*1-26H;1-24H
• InChIKey: UGOFAPUOSHMILD-UHFFFAOYSA-N
• XLogP: 63.92
• TPSA: 225.42 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 262
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3416.16
LogP ≤ 5	63.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;1-phenyl-2-[4-[7-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyren-2-yl]phenyl]benzimidazole;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole?

The IUPAC name of 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;1-phenyl-2-[4-[7-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyren-2-yl]phenyl]benzimidazole;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole (CID 161086309) is 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;1-phenyl-2-[4-[7-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyren-2-yl]phenyl]benzimidazole;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole.

What is the SMILES notation for 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;1-phenyl-2-[4-[7-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyren-2-yl]phenyl]benzimidazole;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole?

The canonical SMILES for 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;1-phenyl-2-[4-[7-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyren-2-yl]phenyl]benzimidazole;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole is c1ccc(-c2nc3ccccn3c2-c2ccc(-c3cc4ccc5cc(-c6ccc(-c7c(-c8ccccc8)nc8ccccn78)cc6)cc6ccc(c3)c4c56)cc2)cc1.c1ccc(-c2nnc(-c3ccc(-c4cc5ccc6cc(-c7ccc(-c8nnc(-c9ccccc9)o8)cc7)cc7ccc(c4)c5c67)cc3)o2)cc1.c1ccc(-c2nnc(-c3ccc(-c4cc5ccc6cc(-c7ccc(-c8nnc(-c9ccccc9)s8)cc7)cc7ccc(c4)c5c67)cc3)s2)cc1.c1ccc(-n2c(-c3ccc(-c4cc5ccc6cc(-c7ccc(-c8nc9ccccc9n8-c8ccccc8)cc7)cc7ccc(c4)c5c67)cc3)nc3ccccc32)cc1.c1ccc2sc(-c3ccc(-c4cc5ccc6cc(-c7ccc(-c8nc9ccccc9s8)cc7)cc7ccc(c4)c5c67)cc3)nc2c1.

What is the InChIKey of 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;1-phenyl-2-[4-[7-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyren-2-yl]phenyl]benzimidazole;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole?

The InChIKey is UGOFAPUOSHMILD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H34N4.C44H26N4O2.C44H26N4S2.C42H24N2S2/c1-3-11-37(12-4-1)51-53(57-29-9-7-15-47(57)55-51)39-21-17-35(18-22-39)45-31-41-25-27-43-33-46(34-44-28-26-42(32-45)49(41)50(43)44)36-19-23-40(24-20-36)54-52(38-13-5-2-6-14-38)56-48-16-8-10-30-58(48)54;1-3-11-45(12-4-1)57-49-17-9-7-15-47(49)55-53(57)37-23-19-35(20-24-37)43-31-39-27-29-41-33-44(34-42-30-28-40(32-43)51(39)52(41)42)36-21-25-38(26-22-36)54-56-48-16-8-10-18-50(48)58(54)46-13-5-2-6-14-46;2*1-3-7-29(8-4-1)41-45-47-43(49-41)31-15-11-27(12-16-31)37-23-33-19-21-35-25-38(26-36-22-20-34(24-37)39(33)40(35)36)28-13-17-32(18-14-28)44-48-46-42(50-44)30-9-5-2-6-10-30;1-3-7-37-35(5-1)43-41(45-37)27-13-9-25(10-14-27)33-21-29-17-19-31-23-34(24-32-20-18-30(22-33)39(29)40(31)32)26-11-15-28(16-12-26)42-44-36-6-2-4-8-38(36)46-42/h2*1-34H;2*1-26H;1-24H.

What are the key properties of 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;1-phenyl-2-[4-[7-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyren-2-yl]phenyl]benzimidazole;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole?

2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;1-phenyl-2-[4-[7-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyren-2-yl]phenyl]benzimidazole;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole has a molecular weight of 3416.16 g/mol, XLogP of 63.92, 28 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3-benzothiazole;1-phenyl-2-[4-[7-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyren-2-yl]phenyl]benzimidazole;2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole is sourced from PubChem (CID 161086309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).