2-phenyl-5-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyrazine;3-phenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridazine;2-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine;4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine

C202H122N6 — CID 159817043

About 2-phenyl-5-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyrazine;3-phenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridazine;2-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine;4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine

2-phenyl-5-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyrazine;3-phenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridazine;2-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine;4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine (PubChem CID 159817043) has the molecular formula C202H122N6 and a molecular weight of 2633.24 g/mol. Its IUPAC name is 2-phenyl-5-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyrazine;3-phenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridazine;2-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine;4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine.

Molecular Properties

• Compound Name: 2-phenyl-5-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyrazine;3-phenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridazine;2-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine;4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine
• PubChem CID: 159817043
• Molecular Formula: C202H122N6
• Molecular Weight: 2633.24 g/mol
• Exact Mass: 2630.97
• IUPAC Name: 2-phenyl-5-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyrazine;3-phenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridazine;2-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine;4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine
• SMILES: c1ccc(-c2ccc(-c3ccc(-c4ccc5c6c(ccc5c4)-c4c(c5ccccc5c5ccccc45)C64c5ccccc5-c5ccccc54)cc3)nn2)cc1.c1ccc(-c2ccc(-c3ccc4c5c(ccc4c3)-c3c(c4ccccc4c4ccccc34)C53c4ccccc4-c4ccccc43)cc2)nc1.c1ccc(-c2cnc(-c3ccc(-c4ccc5c6c(ccc5c4)-c4c(c5ccccc5c5ccccc45)C64c5ccccc5-c5ccccc54)cc3)cn2)cc1.c1ccc2c(c1)-c1ccccc1C21c2c(ccc3cc(-c4ccc(-c5ccncc5)cc4)ccc23)-c2c1c1ccccc1c1ccccc21
• InChI: InChI=1S/2C53H32N2.2C48H29N/c1-2-12-34(13-3-1)48-31-55-49(32-54-48)35-24-22-33(23-25-35)36-26-28-38-37(30-36)27-29-45-50-43-18-6-4-14-39(43)40-15-5-7-19-44(40)52(50)53(51(38)45)46-20-10-8-16-41(46)42-17-9-11-21-47(42)53;1-2-12-34(13-3-1)48-30-31-49(55-54-48)35-24-22-33(23-25-35)36-26-28-38-37(32-36)27-29-45-50-43-18-6-4-14-39(43)40-15-5-7-19-44(40)52(50)53(51(38)45)46-20-10-8-16-41(46)42-17-9-11-21-47(42)53;1-3-15-39-35(11-1)36-12-2-4-16-40(36)47-45(39)41-27-25-33-29-32(30-20-22-31(23-21-30)44-19-9-10-28-49-44)24-26-34(33)46(41)48(47)42-17-7-5-13-37(42)38-14-6-8-18-43(38)48;1-3-13-40-36(9-1)37-10-2-4-14-41(37)47-45(40)42-24-22-34-29-33(31-19-17-30(18-20-31)32-25-27-49-28-26-32)21-23-35(34)46(42)48(47)43-15-7-5-11-38(43)39-12-6-8-16-44(39)48/h2*1-32H;2*1-29H
• InChIKey: NLSYCUYGIFSTOU-UHFFFAOYSA-N
• XLogP: 51.00
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2633.24
LogP ≤ 5	51.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyrazine;3-phenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridazine;2-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine;4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine?

The IUPAC name of 2-phenyl-5-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyrazine;3-phenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridazine;2-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine;4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine (CID 159817043) is 2-phenyl-5-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyrazine;3-phenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridazine;2-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine;4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine.

What is the SMILES notation for 2-phenyl-5-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyrazine;3-phenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridazine;2-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine;4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine?

The canonical SMILES for 2-phenyl-5-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyrazine;3-phenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridazine;2-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine;4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine is c1ccc(-c2ccc(-c3ccc(-c4ccc5c6c(ccc5c4)-c4c(c5ccccc5c5ccccc45)C64c5ccccc5-c5ccccc54)cc3)nn2)cc1.c1ccc(-c2ccc(-c3ccc4c5c(ccc4c3)-c3c(c4ccccc4c4ccccc34)C53c4ccccc4-c4ccccc43)cc2)nc1.c1ccc(-c2cnc(-c3ccc(-c4ccc5c6c(ccc5c4)-c4c(c5ccccc5c5ccccc45)C64c5ccccc5-c5ccccc54)cc3)cn2)cc1.c1ccc2c(c1)-c1ccccc1C21c2c(ccc3cc(-c4ccc(-c5ccncc5)cc4)ccc23)-c2c1c1ccccc1c1ccccc21.

What is the InChIKey of 2-phenyl-5-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyrazine;3-phenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridazine;2-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine;4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine?

The InChIKey is NLSYCUYGIFSTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H32N2.2C48H29N/c1-2-12-34(13-3-1)48-31-55-49(32-54-48)35-24-22-33(23-25-35)36-26-28-38-37(30-36)27-29-45-50-43-18-6-4-14-39(43)40-15-5-7-19-44(40)52(50)53(51(38)45)46-20-10-8-16-41(46)42-17-9-11-21-47(42)53;1-2-12-34(13-3-1)48-30-31-49(55-54-48)35-24-22-33(23-25-35)36-26-28-38-37(32-36)27-29-45-50-43-18-6-4-14-39(43)40-15-5-7-19-44(40)52(50)53(51(38)45)46-20-10-8-16-41(46)42-17-9-11-21-47(42)53;1-3-15-39-35(11-1)36-12-2-4-16-40(36)47-45(39)41-27-25-33-29-32(30-20-22-31(23-21-30)44-19-9-10-28-49-44)24-26-34(33)46(41)48(47)42-17-7-5-13-37(42)38-14-6-8-18-43(38)48;1-3-13-40-36(9-1)37-10-2-4-14-41(37)47-45(40)42-24-22-34-29-33(31-19-17-30(18-20-31)32-25-27-49-28-26-32)21-23-35(34)46(42)48(47)43-15-7-5-11-38(43)39-12-6-8-16-44(39)48/h2*1-32H;2*1-29H.

What are the key properties of 2-phenyl-5-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyrazine;3-phenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridazine;2-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine;4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine?

2-phenyl-5-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyrazine;3-phenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridazine;2-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine;4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine has a molecular weight of 2633.24 g/mol, XLogP of 51.00, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-5-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyrazine;3-phenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridazine;2-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine;4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyridine is sourced from PubChem (CID 159817043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).