2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline

C227H135N9 — CID 161237565

About 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline

2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline (PubChem CID 161237565) has the molecular formula C227H135N9 and a molecular weight of 2988.64 g/mol. Its IUPAC name is 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline
• PubChem CID: 161237565
• Molecular Formula: C227H135N9
• Molecular Weight: 2988.64 g/mol
• Exact Mass: 2986.08
• IUPAC Name: 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline
• SMILES: c1cc(-c2ccc3ccc4cccnc4c3n2)cc(-c2cc3c(c4ccccc24)-c2c(c4ccccc4c4ccccc24)C32c3ccccc3-c3ccccc32)c1.c1ccc(-c2cc(-c3cccc(-c4cc5c(c6ccccc46)-c4c(c6ccccc6c6ccccc46)C54c5ccccc5-c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc3c(c4ccccc24)-c2c(c4ccccc4c4ccccc24)C32c3ccccc3-c3ccccc32)c(-c2ccc3ccc4cccnc4c3n2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc5c(c6ccccc46)-c4c(c6ccccc6c6ccccc46)C54c5ccccc5-c5ccccc54)c3)n2)cc1
• InChI: InChI=1S/C59H36N2.C58H35N3.2C55H32N2/c1-3-18-37(19-4-1)53-36-54(61-58(60-53)38-20-5-2-6-21-38)40-23-17-22-39(34-40)49-35-52-55(46-29-10-8-26-43(46)49)56-47-30-11-7-24-41(47)42-25-9-12-31-48(42)57(56)59(52)50-32-15-13-27-44(50)45-28-14-16-33-51(45)59;1-3-18-36(19-4-1)55-59-56(37-20-5-2-6-21-37)61-57(60-55)39-23-17-22-38(34-39)48-35-51-52(45-29-10-8-26-42(45)48)53-46-30-11-7-24-40(46)41-25-9-12-31-47(41)54(53)58(51)49-32-15-13-27-43(49)44-28-14-16-33-50(44)58;1-5-21-41(49-30-29-34-28-27-33-14-13-31-56-53(33)54(34)57-49)37(17-1)45-32-48-50(42-22-6-3-18-38(42)45)51-43-23-7-2-15-35(43)36-16-4-8-24-44(36)52(51)55(48)46-25-11-9-19-39(46)40-20-10-12-26-47(40)55;1-5-22-43-37(16-1)38-17-3-6-23-44(38)52-51(43)50-42-21-4-2-18-39(42)45(32-48(50)55(52)46-24-9-7-19-40(46)41-20-8-10-25-47(41)55)35-13-11-14-36(31-35)49-29-28-34-27-26-33-15-12-30-56-53(33)54(34)57-49/h1-36H;1-35H;2*1-32H
• InChIKey: UZOORPNOCKZHAK-UHFFFAOYSA-N
• XLogP: 57.13
• TPSA: 116.01 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2988.64
LogP ≤ 5	57.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline?

The IUPAC name of 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline (CID 161237565) is 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline.

What is the SMILES notation for 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline?

The canonical SMILES for 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline is c1cc(-c2ccc3ccc4cccnc4c3n2)cc(-c2cc3c(c4ccccc24)-c2c(c4ccccc4c4ccccc24)C32c3ccccc3-c3ccccc32)c1.c1ccc(-c2cc(-c3cccc(-c4cc5c(c6ccccc46)-c4c(c6ccccc6c6ccccc46)C54c5ccccc5-c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc3c(c4ccccc24)-c2c(c4ccccc4c4ccccc24)C32c3ccccc3-c3ccccc32)c(-c2ccc3ccc4cccnc4c3n2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc5c(c6ccccc46)-c4c(c6ccccc6c6ccccc46)C54c5ccccc5-c5ccccc54)c3)n2)cc1.

What is the InChIKey of 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline?

The InChIKey is UZOORPNOCKZHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2.C58H35N3.2C55H32N2/c1-3-18-37(19-4-1)53-36-54(61-58(60-53)38-20-5-2-6-21-38)40-23-17-22-39(34-40)49-35-52-55(46-29-10-8-26-43(46)49)56-47-30-11-7-24-41(47)42-25-9-12-31-48(42)57(56)59(52)50-32-15-13-27-44(50)45-28-14-16-33-51(45)59;1-3-18-36(19-4-1)55-59-56(37-20-5-2-6-21-37)61-57(60-55)39-23-17-22-38(34-39)48-35-51-52(45-29-10-8-26-42(45)48)53-46-30-11-7-24-40(46)41-25-9-12-31-47(41)54(53)58(51)49-32-15-13-27-43(49)44-28-14-16-33-50(44)58;1-5-21-41(49-30-29-34-28-27-33-14-13-31-56-53(33)54(34)57-49)37(17-1)45-32-48-50(42-22-6-3-18-38(42)45)51-43-23-7-2-15-35(43)36-16-4-8-24-44(36)52(51)55(48)46-25-11-9-19-39(46)40-20-10-12-26-47(40)55;1-5-22-43-37(16-1)38-17-3-6-23-44(38)52-51(43)50-42-21-4-2-18-39(42)45(32-48(50)55(52)46-24-9-7-19-40(46)41-20-8-10-25-47(41)55)35-13-11-14-36(31-35)49-29-28-34-27-26-33-15-12-30-56-53(33)54(34)57-49/h1-36H;1-35H;2*1-32H.

What are the key properties of 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline?

2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline has a molecular weight of 2988.64 g/mol, XLogP of 57.13, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 161237565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).