2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-bis(4-methylphenyl)-14,15,16,17-tetraphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-1,3,4-oxadiazole;2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-14,15,16,17-tetrakis(4-methylphenyl)-3,6-diphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl]phenyl]-1,3,4-oxadiazole

C230H152N8O4 — CID 161418300

About 2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-bis(4-methylphenyl)-14,15,16,17-tetraphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-1,3,4-oxadiazole;2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-14,15,16,17-tetrakis(4-methylphenyl)-3,6-diphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl]phenyl]-1,3,4-oxadiazole

2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-bis(4-methylphenyl)-14,15,16,17-tetraphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-1,3,4-oxadiazole;2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-14,15,16,17-tetrakis(4-methylphenyl)-3,6-diphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl]phenyl]-1,3,4-oxadiazole (PubChem CID 161418300) has the molecular formula C230H152N8O4 and a molecular weight of 3091.80 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-bis(4-methylphenyl)-14,15,16,17-tetraphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-1,3,4-oxadiazole;2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-14,15,16,17-tetrakis(4-methylphenyl)-3,6-diphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-bis(4-methylphenyl)-14,15,16,17-tetraphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-1,3,4-oxadiazole;2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-14,15,16,17-tetrakis(4-methylphenyl)-3,6-diphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl]phenyl]-1,3,4-oxadiazole
• PubChem CID: 161418300
• Molecular Formula: C230H152N8O4
• Molecular Weight: 3091.80 g/mol
• Exact Mass: 3089.19
• IUPAC Name: 2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-bis(4-methylphenyl)-14,15,16,17-tetraphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-1,3,4-oxadiazole;2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-14,15,16,17-tetrakis(4-methylphenyl)-3,6-diphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl]phenyl]-1,3,4-oxadiazole
• SMILES: Cc1ccc(-c2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c3c4cccc5c6c(-c7ccccc7)c(-c7cccc(-c8nnc(-c9cc(-c%10ccccc%10)cc(-c%10ccccc%10)c9)o8)c7)c(-c7cccc(-c8nnc(-c9cc(-c%10ccccc%10)cc(-c%10ccccc%10)c9)o8)c7)c(-c7ccccc7)c6c6cccc(c3c2-c2ccc(C)cc2)c6c45)cc1.Cc1ccc(-c2c(-c3cccc(-c4nnc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)o4)c3)c(-c3cccc(-c4nnc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)o4)c3)c(-c3ccc(C)cc3)c3c4cccc5c6c(-c7ccccc7)c(-c7ccccc7)c(-c7ccccc7)c(-c7ccccc7)c6c6cccc(c23)c6c54)cc1
• InChI: InChI=1S/C116H78N4O2.C114H74N4O2/c1-71-47-55-81(56-48-71)99-100(82-57-49-72(2)50-58-82)104(84-61-53-74(4)54-62-84)112-98-46-26-44-96-108(98)107-95(43-25-45-97(107)111(112)103(99)83-59-51-73(3)52-60-83)109-101(79-35-19-9-20-36-79)105(85-39-23-41-87(63-85)113-117-119-115(121-113)93-67-89(75-27-11-5-12-28-75)65-90(68-93)76-29-13-6-14-30-76)106(102(110(96)109)80-37-21-10-22-38-80)86-40-24-42-88(64-86)114-118-120-116(122-114)94-69-91(77-31-15-7-16-32-77)66-92(70-94)78-33-17-8-18-34-78;1-71-55-59-81(60-56-71)101-103(83-47-27-49-85(63-83)111-115-117-113(119-111)91-67-87(73-31-11-3-12-32-73)65-88(68-91)74-33-13-4-14-34-74)104(84-48-28-50-86(64-84)112-116-118-114(120-112)92-69-89(75-35-15-5-16-36-75)66-90(70-92)76-37-17-6-18-38-76)102(82-61-57-72(2)58-62-82)110-96-54-30-52-94-106(96)105-93(51-29-53-95(105)109(101)110)107-99(79-43-23-9-24-44-79)97(77-39-19-7-20-40-77)98(78-41-21-8-22-42-78)100(108(94)107)80-45-25-10-26-46-80/h5-70H,1-4H3;3-70H,1-2H3
• InChIKey: VWJSORSCPMRHJA-UHFFFAOYSA-N
• XLogP: 62.51
• TPSA: 155.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 32
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3091.80
LogP ≤ 5	62.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-bis(4-methylphenyl)-14,15,16,17-tetraphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-1,3,4-oxadiazole;2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-14,15,16,17-tetrakis(4-methylphenyl)-3,6-diphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl]phenyl]-1,3,4-oxadiazole?

The IUPAC name of 2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-bis(4-methylphenyl)-14,15,16,17-tetraphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-1,3,4-oxadiazole;2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-14,15,16,17-tetrakis(4-methylphenyl)-3,6-diphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl]phenyl]-1,3,4-oxadiazole (CID 161418300) is 2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-bis(4-methylphenyl)-14,15,16,17-tetraphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-1,3,4-oxadiazole;2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-14,15,16,17-tetrakis(4-methylphenyl)-3,6-diphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl]phenyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-bis(4-methylphenyl)-14,15,16,17-tetraphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-1,3,4-oxadiazole;2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-14,15,16,17-tetrakis(4-methylphenyl)-3,6-diphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl]phenyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-bis(4-methylphenyl)-14,15,16,17-tetraphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-1,3,4-oxadiazole;2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-14,15,16,17-tetrakis(4-methylphenyl)-3,6-diphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl]phenyl]-1,3,4-oxadiazole is Cc1ccc(-c2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c3c4cccc5c6c(-c7ccccc7)c(-c7cccc(-c8nnc(-c9cc(-c%10ccccc%10)cc(-c%10ccccc%10)c9)o8)c7)c(-c7cccc(-c8nnc(-c9cc(-c%10ccccc%10)cc(-c%10ccccc%10)c9)o8)c7)c(-c7ccccc7)c6c6cccc(c3c2-c2ccc(C)cc2)c6c45)cc1.Cc1ccc(-c2c(-c3cccc(-c4nnc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)o4)c3)c(-c3cccc(-c4nnc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)o4)c3)c(-c3ccc(C)cc3)c3c4cccc5c6c(-c7ccccc7)c(-c7ccccc7)c(-c7ccccc7)c(-c7ccccc7)c6c6cccc(c23)c6c54)cc1.

What is the InChIKey of 2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-bis(4-methylphenyl)-14,15,16,17-tetraphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-1,3,4-oxadiazole;2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-14,15,16,17-tetrakis(4-methylphenyl)-3,6-diphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl]phenyl]-1,3,4-oxadiazole?

The InChIKey is VWJSORSCPMRHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H78N4O2.C114H74N4O2/c1-71-47-55-81(56-48-71)99-100(82-57-49-72(2)50-58-82)104(84-61-53-74(4)54-62-84)112-98-46-26-44-96-108(98)107-95(43-25-45-97(107)111(112)103(99)83-59-51-73(3)52-60-83)109-101(79-35-19-9-20-36-79)105(85-39-23-41-87(63-85)113-117-119-115(121-113)93-67-89(75-27-11-5-12-28-75)65-90(68-93)76-29-13-6-14-30-76)106(102(110(96)109)80-37-21-10-22-38-80)86-40-24-42-88(64-86)114-118-120-116(122-114)94-69-91(77-31-15-7-16-32-77)66-92(70-94)78-33-17-8-18-34-78;1-71-55-59-81(60-56-71)101-103(83-47-27-49-85(63-83)111-115-117-113(119-111)91-67-87(73-31-11-3-12-32-73)65-88(68-91)74-33-13-4-14-34-74)104(84-48-28-50-86(64-84)112-116-118-114(120-112)92-69-89(75-35-15-5-16-36-75)66-90(70-92)76-37-17-6-18-38-76)102(82-61-57-72(2)58-62-82)110-96-54-30-52-94-106(96)105-93(51-29-53-95(105)109(101)110)107-99(79-43-23-9-24-44-79)97(77-39-19-7-20-40-77)98(78-41-21-8-22-42-78)100(108(94)107)80-45-25-10-26-46-80/h5-70H,1-4H3;3-70H,1-2H3.

What are the key properties of 2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-bis(4-methylphenyl)-14,15,16,17-tetraphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-1,3,4-oxadiazole;2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-14,15,16,17-tetrakis(4-methylphenyl)-3,6-diphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl]phenyl]-1,3,4-oxadiazole?

2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-bis(4-methylphenyl)-14,15,16,17-tetraphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-1,3,4-oxadiazole;2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-14,15,16,17-tetrakis(4-methylphenyl)-3,6-diphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 3091.80 g/mol, XLogP of 62.51, 32 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3,6-bis(4-methylphenyl)-14,15,16,17-tetraphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaenyl]phenyl]-1,3,4-oxadiazole;2-(3,5-diphenylphenyl)-5-[3-[5-[3-[5-(3,5-diphenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-14,15,16,17-tetrakis(4-methylphenyl)-3,6-diphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 161418300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).