4,6-diphenyl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-pyridin-3-yl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine

C179H115N13S4 — CID 161096402

About 4,6-diphenyl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-pyridin-3-yl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine

4,6-diphenyl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-pyridin-3-yl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine (PubChem CID 161096402) has the molecular formula C179H115N13S4 and a molecular weight of 2576.25 g/mol. Its IUPAC name is 4,6-diphenyl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-pyridin-3-yl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine.

Molecular Properties

• Compound Name: 4,6-diphenyl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-pyridin-3-yl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine
• PubChem CID: 161096402
• Molecular Formula: C179H115N13S4
• Molecular Weight: 2576.25 g/mol
• Exact Mass: 2573.83
• IUPAC Name: 4,6-diphenyl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-pyridin-3-yl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine
• SMILES: C1=Cc2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccnc5)nc4)n3)cc2C2(c3ccccc31)c1ccccc1Sc1ccccc12.C1=Cc2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2C2(c3ccccc31)c1ccccc1Sc1ccccc12.C1=Cc2ccc(-c3nc(-c4ccccc4)cc(-c4cccnc4)n3)cc2C2(c3ccccc31)c1ccccc1Sc1ccccc12.C1=Cc2ccc(-c3nc(-c4ccccc4)cc(-c4cnc(-c5ccccc5)nc4)n3)cc2C2(c3ccccc31)c1ccccc1Sc1ccccc12
• InChI: InChI=1S/2C47H30N4S.C43H28N2S.C42H27N3S/c1-3-14-33(15-4-1)41-28-42(36-29-48-45(49-30-36)34-16-5-2-6-17-34)51-46(50-41)35-26-25-32-24-23-31-13-7-8-18-37(31)47(40(32)27-35)38-19-9-11-21-43(38)52-44-22-12-10-20-39(44)47;1-2-12-33(13-3-1)42-28-43(36-24-25-41(49-30-36)35-14-10-26-48-29-35)51-46(50-42)34-23-22-32-21-20-31-11-4-5-15-37(31)47(40(32)27-34)38-16-6-8-18-44(38)52-45-19-9-7-17-39(45)47;1-3-14-31(15-4-1)38-28-39(32-16-5-2-6-17-32)45-42(44-38)33-26-25-30-24-23-29-13-7-8-18-34(29)43(37(30)27-33)35-19-9-11-21-40(35)46-41-22-12-10-20-36(41)43;1-2-12-30(13-3-1)37-26-38(32-14-10-24-43-27-32)45-41(44-37)31-23-22-29-21-20-28-11-4-5-15-33(28)42(36(29)25-31)34-16-6-8-18-39(34)46-40-19-9-7-17-35(40)42/h2*1-30H;1-28H;1-27H
• InChIKey: UHVUQDIOFIDLDO-UHFFFAOYSA-N
• XLogP: 43.54
• TPSA: 167.57 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2576.25
LogP ≤ 5	43.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-pyridin-3-yl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine?

The IUPAC name of 4,6-diphenyl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-pyridin-3-yl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine (CID 161096402) is 4,6-diphenyl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-pyridin-3-yl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine.

What is the SMILES notation for 4,6-diphenyl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-pyridin-3-yl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine?

The canonical SMILES for 4,6-diphenyl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-pyridin-3-yl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine is C1=Cc2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccnc5)nc4)n3)cc2C2(c3ccccc31)c1ccccc1Sc1ccccc12.C1=Cc2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2C2(c3ccccc31)c1ccccc1Sc1ccccc12.C1=Cc2ccc(-c3nc(-c4ccccc4)cc(-c4cccnc4)n3)cc2C2(c3ccccc31)c1ccccc1Sc1ccccc12.C1=Cc2ccc(-c3nc(-c4ccccc4)cc(-c4cnc(-c5ccccc5)nc4)n3)cc2C2(c3ccccc31)c1ccccc1Sc1ccccc12.

What is the InChIKey of 4,6-diphenyl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-pyridin-3-yl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine?

The InChIKey is UHVUQDIOFIDLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H30N4S.C43H28N2S.C42H27N3S/c1-3-14-33(15-4-1)41-28-42(36-29-48-45(49-30-36)34-16-5-2-6-17-34)51-46(50-41)35-26-25-32-24-23-31-13-7-8-18-37(31)47(40(32)27-35)38-19-9-11-21-43(38)52-44-22-12-10-20-39(44)47;1-2-12-33(13-3-1)42-28-43(36-24-25-41(49-30-36)35-14-10-26-48-29-35)51-46(50-42)34-23-22-32-21-20-31-11-4-5-15-37(31)47(40(32)27-34)38-16-6-8-18-44(38)52-45-19-9-7-17-39(45)47;1-3-14-31(15-4-1)38-28-39(32-16-5-2-6-17-32)45-42(44-38)33-26-25-30-24-23-29-13-7-8-18-34(29)43(37(30)27-33)35-19-9-11-21-40(35)46-41-22-12-10-20-36(41)43;1-2-12-30(13-3-1)37-26-38(32-14-10-24-43-27-32)45-41(44-37)31-23-22-29-21-20-28-11-4-5-15-33(28)42(36(29)25-31)34-16-6-8-18-39(34)46-40-19-9-7-17-35(40)42/h2*1-30H;1-28H;1-27H.

What are the key properties of 4,6-diphenyl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-pyridin-3-yl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine?

4,6-diphenyl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-pyridin-3-yl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine has a molecular weight of 2576.25 g/mol, XLogP of 43.54, 14 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-diphenyl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-pyridin-3-yl-2-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine is sourced from PubChem (CID 161096402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).