2-[4-[9-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[9-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[12-[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]benzo[a]anthracen-7-yl]pyridine;2,4,4,5,5-pentamethyl-1-[4-[9-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[9-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole

C242H222N18O2S2 — CID 158440610

About 2-[4-[9-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[9-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[12-[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]benzo[a]anthracen-7-yl]pyridine;2,4,4,5,5-pentamethyl-1-[4-[9-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[9-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole

2-[4-[9-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[9-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[12-[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]benzo[a]anthracen-7-yl]pyridine;2,4,4,5,5-pentamethyl-1-[4-[9-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[9-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole (PubChem CID 158440610) has the molecular formula C242H222N18O2S2 and a molecular weight of 3478.70 g/mol. Its IUPAC name is 2-[4-[9-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[9-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[12-[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]benzo[a]anthracen-7-yl]pyridine;2,4,4,5,5-pentamethyl-1-[4-[9-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[9-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole.

Molecular Properties

• Compound Name: 2-[4-[9-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[9-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[12-[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]benzo[a]anthracen-7-yl]pyridine;2,4,4,5,5-pentamethyl-1-[4-[9-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[9-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole
• PubChem CID: 158440610
• Molecular Formula: C242H222N18O2S2
• Molecular Weight: 3478.70 g/mol
• Exact Mass: 3475.73
• IUPAC Name: 2-[4-[9-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[9-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[12-[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]benzo[a]anthracen-7-yl]pyridine;2,4,4,5,5-pentamethyl-1-[4-[9-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[9-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole
• SMILES: CC1(C)COC(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NC(C)(C)CO5)cc4)c4c5ccccc5c5ccccc5c34)cc2)=N1.CC1(C)CSC(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NC(C)(C)CS5)cc4)c4c5ccccc5c5ccccc5c34)cc2)=N1.CC1(C)N=C(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)cc4)c4c5ccccc5c5ccccc5c34)cc2)N(c2ccccc2)C1(C)C.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2c3ccccc3c(-c3ccc(N4C(C)=NC(C)(C)C4(C)C)cc3)c3c4ccccc4c4ccccc4c23)cc1.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2c3ccccc3c(-c3ccc(N4C(C)=NC(C)(C)C4(C)C)nc3)c3ccc4ccccc4c23)nc1
• InChI: InChI=1S/C60H54N4.C50H50N4.C44H46N6.C44H36N2O2.C44H36N2S2/c1-57(2)59(5,6)63(43-21-11-9-12-22-43)55(61-57)41-35-31-39(32-36-41)51-49-29-19-20-30-50(49)52(54-48-28-18-16-26-46(48)45-25-15-17-27-47(45)53(51)54)40-33-37-42(38-34-40)56-62-58(3,4)60(7,8)64(56)44-23-13-10-14-24-44;1-31-51-47(3,4)49(7,8)53(31)35-27-23-33(24-28-35)43-41-21-15-16-22-42(41)44(34-25-29-36(30-26-34)54-32(2)52-48(5,6)50(54,9)10)46-40-20-14-12-18-38(40)37-17-11-13-19-39(37)45(43)46;1-27-47-41(3,4)43(7,8)49(27)31-21-23-36(45-26-31)40-34-18-14-13-17-33(34)38(35-22-19-29-15-11-12-16-32(29)39(35)40)30-20-24-37(46-25-30)50-28(2)48-42(5,6)44(50,9)10;2*1-43(2)25-47-41(45-43)29-21-17-27(18-22-29)37-35-15-9-10-16-36(35)38(28-19-23-30(24-20-28)42-46-44(3,4)26-48-42)40-34-14-8-6-12-32(34)31-11-5-7-13-33(31)39(37)40/h9-38H,1-8H3;11-30H,1-10H3;11-26H,1-10H3;2*5-24H,25-26H2,1-4H3
• InChIKey: HCTMZCQIDOCJQR-UHFFFAOYSA-N
• XLogP: 62.29
• TPSA: 187.28 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 264
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3478.70
LogP ≤ 5	62.29
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-[4-[9-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[9-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[12-[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]benzo[a]anthracen-7-yl]pyridine;2,4,4,5,5-pentamethyl-1-[4-[9-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[9-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole?

The IUPAC name of 2-[4-[9-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[9-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[12-[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]benzo[a]anthracen-7-yl]pyridine;2,4,4,5,5-pentamethyl-1-[4-[9-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[9-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole (CID 158440610) is 2-[4-[9-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[9-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[12-[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]benzo[a]anthracen-7-yl]pyridine;2,4,4,5,5-pentamethyl-1-[4-[9-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[9-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole.

What is the SMILES notation for 2-[4-[9-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[9-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[12-[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]benzo[a]anthracen-7-yl]pyridine;2,4,4,5,5-pentamethyl-1-[4-[9-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[9-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole?

The canonical SMILES for 2-[4-[9-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[9-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[12-[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]benzo[a]anthracen-7-yl]pyridine;2,4,4,5,5-pentamethyl-1-[4-[9-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[9-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole is CC1(C)COC(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NC(C)(C)CO5)cc4)c4c5ccccc5c5ccccc5c34)cc2)=N1.CC1(C)CSC(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NC(C)(C)CS5)cc4)c4c5ccccc5c5ccccc5c34)cc2)=N1.CC1(C)N=C(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)cc4)c4c5ccccc5c5ccccc5c34)cc2)N(c2ccccc2)C1(C)C.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2c3ccccc3c(-c3ccc(N4C(C)=NC(C)(C)C4(C)C)cc3)c3c4ccccc4c4ccccc4c23)cc1.CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2c3ccccc3c(-c3ccc(N4C(C)=NC(C)(C)C4(C)C)nc3)c3ccc4ccccc4c23)nc1.

What is the InChIKey of 2-[4-[9-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[9-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[12-[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]benzo[a]anthracen-7-yl]pyridine;2,4,4,5,5-pentamethyl-1-[4-[9-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[9-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole?

The InChIKey is HCTMZCQIDOCJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54N4.C50H50N4.C44H46N6.C44H36N2O2.C44H36N2S2/c1-57(2)59(5,6)63(43-21-11-9-12-22-43)55(61-57)41-35-31-39(32-36-41)51-49-29-19-20-30-50(49)52(54-48-28-18-16-26-46(48)45-25-15-17-27-47(45)53(51)54)40-33-37-42(38-34-40)56-62-58(3,4)60(7,8)64(56)44-23-13-10-14-24-44;1-31-51-47(3,4)49(7,8)53(31)35-27-23-33(24-28-35)43-41-21-15-16-22-42(41)44(34-25-29-36(30-26-34)54-32(2)52-48(5,6)50(54,9)10)46-40-20-14-12-18-38(40)37-17-11-13-19-39(37)45(43)46;1-27-47-41(3,4)43(7,8)49(27)31-21-23-36(45-26-31)40-34-18-14-13-17-33(34)38(35-22-19-29-15-11-12-16-32(29)39(35)40)30-20-24-37(46-25-30)50-28(2)48-42(5,6)44(50,9)10;2*1-43(2)25-47-41(45-43)29-21-17-27(18-22-29)37-35-15-9-10-16-36(35)38(28-19-23-30(24-20-28)42-46-44(3,4)26-48-42)40-34-14-8-6-12-32(34)31-11-5-7-13-33(31)39(37)40/h9-38H,1-8H3;11-30H,1-10H3;11-26H,1-10H3;2*5-24H,25-26H2,1-4H3.

What are the key properties of 2-[4-[9-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[9-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[12-[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]benzo[a]anthracen-7-yl]pyridine;2,4,4,5,5-pentamethyl-1-[4-[9-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[9-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole?

2-[4-[9-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[9-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[12-[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]benzo[a]anthracen-7-yl]pyridine;2,4,4,5,5-pentamethyl-1-[4-[9-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[9-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole has a molecular weight of 3478.70 g/mol, XLogP of 62.29, 22 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[9-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[9-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole;2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[12-[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]benzo[a]anthracen-7-yl]pyridine;2,4,4,5,5-pentamethyl-1-[4-[9-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole;4,4,5,5-tetramethyl-1-phenyl-2-[4-[9-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]benzo[b]triphenylen-14-yl]phenyl]imidazole is sourced from PubChem (CID 158440610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).