21-[3-(3-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-21-ylphenyl)phenyl]-1,3,4-oxadiazole;21-[3-(3-pyridin-4-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]

C151H92N6O — CID 161141142

About 21-[3-(3-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-21-ylphenyl)phenyl]-1,3,4-oxadiazole;21-[3-(3-pyridin-4-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]

21-[3-(3-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-21-ylphenyl)phenyl]-1,3,4-oxadiazole;21-[3-(3-pyridin-4-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene] (PubChem CID 161141142) has the molecular formula C151H92N6O and a molecular weight of 2006.44 g/mol. Its IUPAC name is 21-[3-(3-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-21-ylphenyl)phenyl]-1,3,4-oxadiazole;21-[3-(3-pyridin-4-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene].

Molecular Properties

• Compound Name: 21-[3-(3-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-21-ylphenyl)phenyl]-1,3,4-oxadiazole;21-[3-(3-pyridin-4-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]
• PubChem CID: 161141142
• Molecular Formula: C151H92N6O
• Molecular Weight: 2006.44 g/mol
• Exact Mass: 2004.73
• IUPAC Name: 21-[3-(3-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-21-ylphenyl)phenyl]-1,3,4-oxadiazole;21-[3-(3-pyridin-4-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]
• SMILES: c1cc(-c2ccncc2)cc(-c2cccc(-c3nc4ccccc4c4ccc5c(c34)-c3ccccc3C53c4ccccc4-c4ccccc43)c2)c1.c1ccc(-c2cccc(-c3cccc(-c4nc5ccccc5c5ccc6c(c45)-c4ccccc4C64c5ccccc5-c5ccccc54)c3)c2)cc1.c1ccc(-c2nnc(-c3cccc(-c4ccc(-c5nc6ccccc6c6ccc7c(c56)-c5ccccc5C75c6ccccc6-c6ccccc65)cc4)c3)o2)cc1
• InChI: InChI=1S/C52H31N3O.C50H31N.C49H30N2/c1-2-13-34(14-3-1)50-54-55-51(56-50)36-16-12-15-35(31-36)32-25-27-33(28-26-32)49-48-40(39-19-7-11-24-46(39)53-49)29-30-45-47(48)41-20-6-10-23-44(41)52(45)42-21-8-4-17-37(42)38-18-5-9-22-43(38)52;1-2-14-32(15-3-1)33-16-12-17-34(30-33)35-18-13-19-36(31-35)49-48-40(39-22-7-11-27-46(39)51-49)28-29-45-47(48)41-23-6-10-26-44(41)50(45)42-24-8-4-20-37(42)38-21-5-9-25-43(38)50;1-5-19-41-36(15-1)37-16-2-6-20-42(37)49(41)43-21-7-3-18-40(43)46-44(49)24-23-39-38-17-4-8-22-45(38)51-48(47(39)46)35-14-10-13-34(30-35)33-12-9-11-32(29-33)31-25-27-50-28-26-31/h1-31H;1-31H;1-30H
• InChIKey: UNLPPXZCSBCWMQ-UHFFFAOYSA-N
• XLogP: 37.64
• TPSA: 90.48 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2006.44
LogP ≤ 5	37.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 21-[3-(3-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-21-ylphenyl)phenyl]-1,3,4-oxadiazole;21-[3-(3-pyridin-4-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]?

The IUPAC name of 21-[3-(3-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-21-ylphenyl)phenyl]-1,3,4-oxadiazole;21-[3-(3-pyridin-4-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene] (CID 161141142) is 21-[3-(3-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-21-ylphenyl)phenyl]-1,3,4-oxadiazole;21-[3-(3-pyridin-4-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene].

What is the SMILES notation for 21-[3-(3-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-21-ylphenyl)phenyl]-1,3,4-oxadiazole;21-[3-(3-pyridin-4-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]?

The canonical SMILES for 21-[3-(3-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-21-ylphenyl)phenyl]-1,3,4-oxadiazole;21-[3-(3-pyridin-4-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene] is c1cc(-c2ccncc2)cc(-c2cccc(-c3nc4ccccc4c4ccc5c(c34)-c3ccccc3C53c4ccccc4-c4ccccc43)c2)c1.c1ccc(-c2cccc(-c3cccc(-c4nc5ccccc5c5ccc6c(c45)-c4ccccc4C64c5ccccc5-c5ccccc54)c3)c2)cc1.c1ccc(-c2nnc(-c3cccc(-c4ccc(-c5nc6ccccc6c6ccc7c(c56)-c5ccccc5C75c6ccccc6-c6ccccc65)cc4)c3)o2)cc1.

What is the InChIKey of 21-[3-(3-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-21-ylphenyl)phenyl]-1,3,4-oxadiazole;21-[3-(3-pyridin-4-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]?

The InChIKey is UNLPPXZCSBCWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3O.C50H31N.C49H30N2/c1-2-13-34(14-3-1)50-54-55-51(56-50)36-16-12-15-35(31-36)32-25-27-33(28-26-32)49-48-40(39-19-7-11-24-46(39)53-49)29-30-45-47(48)41-20-6-10-23-44(41)52(45)42-21-8-4-17-37(42)38-18-5-9-22-43(38)52;1-2-14-32(15-3-1)33-16-12-17-34(30-33)35-18-13-19-36(31-35)49-48-40(39-22-7-11-27-46(39)51-49)28-29-45-47(48)41-23-6-10-26-44(41)50(45)42-24-8-4-20-37(42)38-21-5-9-25-43(38)50;1-5-19-41-36(15-1)37-16-2-6-20-42(37)49(41)43-21-7-3-18-40(43)46-44(49)24-23-39-38-17-4-8-22-45(38)51-48(47(39)46)35-14-10-13-34(30-35)33-12-9-11-32(29-33)31-25-27-50-28-26-31/h1-31H;1-31H;1-30H.

What are the key properties of 21-[3-(3-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-21-ylphenyl)phenyl]-1,3,4-oxadiazole;21-[3-(3-pyridin-4-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]?

21-[3-(3-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-21-ylphenyl)phenyl]-1,3,4-oxadiazole;21-[3-(3-pyridin-4-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene] has a molecular weight of 2006.44 g/mol, XLogP of 37.64, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 21-[3-(3-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-21-ylphenyl)phenyl]-1,3,4-oxadiazole;21-[3-(3-pyridin-4-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene] is sourced from PubChem (CID 161141142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).