2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine;2-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-5-[9-[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine

C190H168N20O2S2 — CID 158643826

About 2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine;2-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-5-[9-[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine

2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine;2-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-5-[9-[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine (PubChem CID 158643826) has the molecular formula C190H168N20O2S2 and a molecular weight of 2827.71 g/mol. Its IUPAC name is 2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine;2-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-5-[9-[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine.

Molecular Properties

• Compound Name: 2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine;2-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-5-[9-[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine
• PubChem CID: 158643826
• Molecular Formula: C190H168N20O2S2
• Molecular Weight: 2827.71 g/mol
• Exact Mass: 2825.31
• IUPAC Name: 2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine;2-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-5-[9-[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine
• SMILES: CC1(C)COC(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NC(C)(C)CO5)nc4)c4c5ccccc5c5ccccc5c34)cn2)=N1.CC1(C)CSC(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NC(C)(C)CS5)nc4)c4c5ccccc5c5ccccc5c34)cn2)=N1.CC1(C)N=C(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)nc4)c4c5ccccc5c5ccccc5c34)cn2)N(c2ccccc2)C1(C)C.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2c3ccccc3c(-c3ccc(N4C(C)=NC(C)(C)C4(C)C)nc3)c3c4ccccc4c4ccccc4c23)cn1
• InChI: InChI=1S/C58H52N6.C48H48N6.C42H34N4O2.C42H34N4S2/c1-55(2)57(5,6)63(39-21-11-9-12-22-39)53(61-55)47-33-31-37(35-59-47)49-45-29-19-20-30-46(45)50(52-44-28-18-16-26-42(44)41-25-15-17-27-43(41)51(49)52)38-32-34-48(60-36-38)54-62-56(3,4)58(7,8)64(54)40-23-13-10-14-24-40;1-29-51-45(3,4)47(7,8)53(29)39-25-23-31(27-49-39)41-37-21-15-16-22-38(37)42(32-24-26-40(50-28-32)54-30(2)52-46(5,6)48(54,9)10)44-36-20-14-12-18-34(36)33-17-11-13-19-35(33)43(41)44;2*1-41(2)23-47-39(45-41)33-19-17-25(21-43-33)35-31-15-9-10-16-32(31)36(26-18-20-34(44-22-26)40-46-42(3,4)24-48-40)38-30-14-8-6-12-28(30)27-11-5-7-13-29(27)37(35)38/h9-36H,1-8H3;11-28H,1-10H3;2*5-22H,23-24H2,1-4H3
• InChIKey: IASHRWMGLLBJHA-UHFFFAOYSA-N
• XLogP: 46.59
• TPSA: 233.42 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2827.71
LogP ≤ 5	46.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine;2-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-5-[9-[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine?

The IUPAC name of 2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine;2-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-5-[9-[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine (CID 158643826) is 2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine;2-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-5-[9-[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine.

What is the SMILES notation for 2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine;2-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-5-[9-[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine?

The canonical SMILES for 2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine;2-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-5-[9-[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine is CC1(C)COC(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NC(C)(C)CO5)nc4)c4c5ccccc5c5ccccc5c34)cn2)=N1.CC1(C)CSC(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NC(C)(C)CS5)nc4)c4c5ccccc5c5ccccc5c34)cn2)=N1.CC1(C)N=C(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)nc4)c4c5ccccc5c5ccccc5c34)cn2)N(c2ccccc2)C1(C)C.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2c3ccccc3c(-c3ccc(N4C(C)=NC(C)(C)C4(C)C)nc3)c3c4ccccc4c4ccccc4c23)cn1.

What is the InChIKey of 2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine;2-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-5-[9-[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine?

The InChIKey is IASHRWMGLLBJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H52N6.C48H48N6.C42H34N4O2.C42H34N4S2/c1-55(2)57(5,6)63(39-21-11-9-12-22-39)53(61-55)47-33-31-37(35-59-47)49-45-29-19-20-30-46(45)50(52-44-28-18-16-26-42(44)41-25-15-17-27-43(41)51(49)52)38-32-34-48(60-36-38)54-62-56(3,4)58(7,8)64(54)40-23-13-10-14-24-40;1-29-51-45(3,4)47(7,8)53(29)39-25-23-31(27-49-39)41-37-21-15-16-22-38(37)42(32-24-26-40(50-28-32)54-30(2)52-46(5,6)48(54,9)10)44-36-20-14-12-18-34(36)33-17-11-13-19-35(33)43(41)44;2*1-41(2)23-47-39(45-41)33-19-17-25(21-43-33)35-31-15-9-10-16-32(31)36(26-18-20-34(44-22-26)40-46-42(3,4)24-48-40)38-30-14-8-6-12-28(30)27-11-5-7-13-29(27)37(35)38/h9-36H,1-8H3;11-28H,1-10H3;2*5-22H,23-24H2,1-4H3.

What are the key properties of 2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine;2-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-5-[9-[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine?

2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine;2-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-5-[9-[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine has a molecular weight of 2827.71 g/mol, XLogP of 46.59, 18 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine;2-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-5-[9-[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]benzo[b]triphenylen-14-yl]pyridine is sourced from PubChem (CID 158643826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).