4,6-diphenyl-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylpyrimidine;4,6-diphenyl-2-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)pyrimidine

C141H86N6O2S — CID 159201364

About 4,6-diphenyl-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylpyrimidine;4,6-diphenyl-2-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)pyrimidine

4,6-diphenyl-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylpyrimidine;4,6-diphenyl-2-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)pyrimidine (PubChem CID 159201364) has the molecular formula C141H86N6O2S and a molecular weight of 1928.35 g/mol. Its IUPAC name is 4,6-diphenyl-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylpyrimidine;4,6-diphenyl-2-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)pyrimidine.

Molecular Properties

• Compound Name: 4,6-diphenyl-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylpyrimidine;4,6-diphenyl-2-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)pyrimidine
• PubChem CID: 159201364
• Molecular Formula: C141H86N6O2S
• Molecular Weight: 1928.35 g/mol
• Exact Mass: 1926.65
• IUPAC Name: 4,6-diphenyl-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylpyrimidine;4,6-diphenyl-2-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)pyrimidine
• SMILES: c1ccc(-c2cc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3c-4oc4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4c-5oc5ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4sc5ccccc5c43)n2)cc1
• InChI: InChI=1S/C49H30N2O.C49H30N2S.C43H26N2O/c1-3-14-31(15-4-1)43-30-44(32-16-5-2-6-17-32)51-48(50-43)35-19-13-18-33(28-35)34-26-27-38-42(29-34)49(46-39-22-9-12-25-45(39)52-47(38)46)40-23-10-7-20-36(40)37-21-8-11-24-41(37)49;1-3-15-31(16-4-1)43-30-44(32-17-5-2-6-18-32)51-48(50-43)37-21-8-7-19-34(37)33-27-28-36-35-20-9-12-24-40(35)49(42(36)29-33)41-25-13-10-22-38(41)47-46(49)39-23-11-14-26-45(39)52-47;1-3-14-27(15-4-1)36-26-37(45-42(44-36)28-16-5-2-6-17-28)31-21-13-22-33-39(31)43(40-32-20-9-12-25-38(32)46-41(33)40)34-23-10-7-18-29(34)30-19-8-11-24-35(30)43/h2*1-30H;1-26H
• InChIKey: KPIIWEAPUCMUNC-UHFFFAOYSA-N
• XLogP: 35.50
• TPSA: 103.62 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1928.35
LogP ≤ 5	35.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylpyrimidine;4,6-diphenyl-2-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)pyrimidine?

The IUPAC name of 4,6-diphenyl-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylpyrimidine;4,6-diphenyl-2-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)pyrimidine (CID 159201364) is 4,6-diphenyl-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylpyrimidine;4,6-diphenyl-2-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)pyrimidine.

What is the SMILES notation for 4,6-diphenyl-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylpyrimidine;4,6-diphenyl-2-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)pyrimidine?

The canonical SMILES for 4,6-diphenyl-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylpyrimidine;4,6-diphenyl-2-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3c-4oc4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4c-5oc5ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4sc5ccccc5c43)n2)cc1.

What is the InChIKey of 4,6-diphenyl-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylpyrimidine;4,6-diphenyl-2-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)pyrimidine?

The InChIKey is KPIIWEAPUCMUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O.C49H30N2S.C43H26N2O/c1-3-14-31(15-4-1)43-30-44(32-16-5-2-6-17-32)51-48(50-43)35-19-13-18-33(28-35)34-26-27-38-42(29-34)49(46-39-22-9-12-25-45(39)52-47(38)46)40-23-10-7-20-36(40)37-21-8-11-24-41(37)49;1-3-15-31(16-4-1)43-30-44(32-17-5-2-6-18-32)51-48(50-43)37-21-8-7-19-34(37)33-27-28-36-35-20-9-12-24-40(35)49(42(36)29-33)41-25-13-10-22-38(41)47-46(49)39-23-11-14-26-45(39)52-47;1-3-14-27(15-4-1)36-26-37(45-42(44-36)28-16-5-2-6-17-28)31-21-13-22-33-39(31)43(40-32-20-9-12-25-38(32)46-41(33)40)34-23-10-7-18-29(34)30-19-8-11-24-35(30)43/h2*1-30H;1-26H.

What are the key properties of 4,6-diphenyl-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylpyrimidine;4,6-diphenyl-2-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)pyrimidine?

4,6-diphenyl-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylpyrimidine;4,6-diphenyl-2-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)pyrimidine has a molecular weight of 1928.35 g/mol, XLogP of 35.50, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-diphenyl-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylpyrimidine;4,6-diphenyl-2-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)pyrimidine is sourced from PubChem (CID 159201364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).