14-[3-(1,5-naphthyridin-3-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3,4-oxadiazole;14-(3-quinolin-7-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(3-quinoxalin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]

C191H113N11O — CID 158835993

About 14-[3-(1,5-naphthyridin-3-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3,4-oxadiazole;14-(3-quinolin-7-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(3-quinoxalin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]

14-[3-(1,5-naphthyridin-3-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3,4-oxadiazole;14-(3-quinolin-7-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(3-quinoxalin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene] (PubChem CID 158835993) has the molecular formula C191H113N11O and a molecular weight of 2578.08 g/mol. Its IUPAC name is 14-[3-(1,5-naphthyridin-3-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3,4-oxadiazole;14-(3-quinolin-7-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(3-quinoxalin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene].

Molecular Properties

• Compound Name: 14-[3-(1,5-naphthyridin-3-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3,4-oxadiazole;14-(3-quinolin-7-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(3-quinoxalin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]
• PubChem CID: 158835993
• Molecular Formula: C191H113N11O
• Molecular Weight: 2578.08 g/mol
• Exact Mass: 2575.91
• IUPAC Name: 14-[3-(1,5-naphthyridin-3-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3,4-oxadiazole;14-(3-quinolin-7-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(3-quinoxalin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]
• SMILES: c1cc(-c2ccc3cccnc3c2)cc(-c2nc3ccccc3c3c4c(ccc23)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)c1.c1cc(-c2cnc3ccccc3n2)cc(-c2nc3ccccc3c3c4c(ccc23)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)c1.c1cc(-c2cnc3cccnc3c2)cc(-c2nc3ccccc3c3c4c(ccc23)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)c1.c1ccc(-c2nnc(-c3cccc(-c4ccc(-c5nc6ccccc6c6c7c(ccc56)C5(c6ccccc6-c6ccccc65)c5ccccc5-7)cc4)c3)o2)cc1
• InChI: InChI=1S/C52H31N3O.C47H28N2.2C46H27N3/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)49-41-29-30-45-48(47(41)40-20-7-11-24-46(40)53-49)39-19-6-10-23-44(39)52(45)42-21-8-4-17-37(42)38-18-5-9-22-43(38)52;1-5-18-38-33(14-1)34-15-2-6-19-39(34)47(38)40-20-7-3-16-35(40)45-41(47)25-24-37-44(45)36-17-4-8-21-42(36)49-46(37)32-12-9-11-30(27-32)31-23-22-29-13-10-26-48-43(29)28-31;1-5-17-36-31(13-1)32-14-2-6-18-37(32)46(36)38-19-7-3-15-33(38)44-39(46)23-22-35-43(44)34-16-4-8-20-40(34)49-45(35)29-12-9-11-28(25-29)30-26-42-41(48-27-30)21-10-24-47-42;1-5-18-35-30(14-1)31-15-2-6-19-36(31)46(35)37-20-7-3-16-32(37)44-38(46)25-24-34-43(44)33-17-4-8-21-39(33)49-45(34)29-13-11-12-28(26-29)42-27-47-40-22-9-10-23-41(40)48-42/h1-31H;1-28H;2*1-27H
• InChIKey: IXQKQBIFGSQJJW-UHFFFAOYSA-N
• XLogP: 46.41
• TPSA: 154.93 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2578.08
LogP ≤ 5	46.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-[3-(1,5-naphthyridin-3-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3,4-oxadiazole;14-(3-quinolin-7-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(3-quinoxalin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]?

The IUPAC name of 14-[3-(1,5-naphthyridin-3-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3,4-oxadiazole;14-(3-quinolin-7-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(3-quinoxalin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene] (CID 158835993) is 14-[3-(1,5-naphthyridin-3-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3,4-oxadiazole;14-(3-quinolin-7-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(3-quinoxalin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene].

What is the SMILES notation for 14-[3-(1,5-naphthyridin-3-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3,4-oxadiazole;14-(3-quinolin-7-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(3-quinoxalin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]?

The canonical SMILES for 14-[3-(1,5-naphthyridin-3-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3,4-oxadiazole;14-(3-quinolin-7-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(3-quinoxalin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene] is c1cc(-c2ccc3cccnc3c2)cc(-c2nc3ccccc3c3c4c(ccc23)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)c1.c1cc(-c2cnc3ccccc3n2)cc(-c2nc3ccccc3c3c4c(ccc23)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)c1.c1cc(-c2cnc3cccnc3c2)cc(-c2nc3ccccc3c3c4c(ccc23)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)c1.c1ccc(-c2nnc(-c3cccc(-c4ccc(-c5nc6ccccc6c6c7c(ccc56)C5(c6ccccc6-c6ccccc65)c5ccccc5-7)cc4)c3)o2)cc1.

What is the InChIKey of 14-[3-(1,5-naphthyridin-3-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3,4-oxadiazole;14-(3-quinolin-7-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(3-quinoxalin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]?

The InChIKey is IXQKQBIFGSQJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3O.C47H28N2.2C46H27N3/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)49-41-29-30-45-48(47(41)40-20-7-11-24-46(40)53-49)39-19-6-10-23-44(39)52(45)42-21-8-4-17-37(42)38-18-5-9-22-43(38)52;1-5-18-38-33(14-1)34-15-2-6-19-39(34)47(38)40-20-7-3-16-35(40)45-41(47)25-24-37-44(45)36-17-4-8-21-42(36)49-46(37)32-12-9-11-30(27-32)31-23-22-29-13-10-26-48-43(29)28-31;1-5-17-36-31(13-1)32-14-2-6-18-37(32)46(36)38-19-7-3-15-33(38)44-39(46)23-22-35-43(44)34-16-4-8-20-40(34)49-45(35)29-12-9-11-28(25-29)30-26-42-41(48-27-30)21-10-24-47-42;1-5-18-35-30(14-1)31-15-2-6-19-36(31)46(35)37-20-7-3-16-32(37)44-38(46)25-24-34-43(44)33-17-4-8-21-39(33)49-45(34)29-13-11-12-28(26-29)42-27-47-40-22-9-10-23-41(40)48-42/h1-31H;1-28H;2*1-27H.

What are the key properties of 14-[3-(1,5-naphthyridin-3-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3,4-oxadiazole;14-(3-quinolin-7-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(3-quinoxalin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]?

14-[3-(1,5-naphthyridin-3-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3,4-oxadiazole;14-(3-quinolin-7-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(3-quinoxalin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene] has a molecular weight of 2578.08 g/mol, XLogP of 46.41, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-(1,5-naphthyridin-3-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3,4-oxadiazole;14-(3-quinolin-7-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(3-quinoxalin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene] is sourced from PubChem (CID 158835993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).