2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-2,6-diphenylpyridine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-4,6-diphenylpyrimidine

C172H120N8O2S2 — CID 158703539

About 2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-2,6-diphenylpyridine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-4,6-diphenylpyrimidine

2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-2,6-diphenylpyridine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-4,6-diphenylpyrimidine (PubChem CID 158703539) has the molecular formula C172H120N8O2S2 and a molecular weight of 2395.04 g/mol. Its IUPAC name is 2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-2,6-diphenylpyridine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

• Compound Name: 2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-2,6-diphenylpyridine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-4,6-diphenylpyrimidine
• PubChem CID: 158703539
• Molecular Formula: C172H120N8O2S2
• Molecular Weight: 2395.04 g/mol
• Exact Mass: 2392.90
• IUPAC Name: 2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-2,6-diphenylpyridine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-4,6-diphenylpyrimidine
• SMILES: CC1(C)c2ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc2-c2c1ccc1c2sc2ccccc21.CC1(C)c2ccc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc2-c2c1ccc1c2oc2ccccc21.CC1(C)c2ccc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc2-c2c1ccc1c2sc2ccccc21.CC1(C)c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc2-c2c1ccc1c2oc2ccccc21
• InChI: InChI=1S/C44H31NS.C43H30N2O.C43H30N2S.C42H29N3O/c1-44(2)37-22-20-32(25-36(37)42-38(44)23-21-35-34-18-9-10-19-41(34)46-43(35)42)30-16-11-17-31(24-30)33-26-39(28-12-5-3-6-13-28)45-40(27-33)29-14-7-4-8-15-29;2*1-43(2)35-22-20-30(25-34(35)40-36(43)23-21-33-32-18-9-10-19-39(32)46-41(33)40)29-16-11-17-31(24-29)42-44-37(27-12-5-3-6-13-27)26-38(45-42)28-14-7-4-8-15-28;1-42(2)34-22-20-29(25-33(34)37-35(42)23-21-32-31-18-9-10-19-36(31)46-38(32)37)28-16-11-17-30(24-28)41-44-39(26-12-5-3-6-13-26)43-40(45-41)27-14-7-4-8-15-27/h3-27H,1-2H3;2*3-26H,1-2H3;3-25H,1-2H3
• InChIKey: IHVLIDQZOJTLEI-UHFFFAOYSA-N
• XLogP: 46.34
• TPSA: 129.40 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2395.04
LogP ≤ 5	46.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-2,6-diphenylpyridine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-4,6-diphenylpyrimidine?

The IUPAC name of 2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-2,6-diphenylpyridine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-4,6-diphenylpyrimidine (CID 158703539) is 2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-2,6-diphenylpyridine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-4,6-diphenylpyrimidine.

What is the SMILES notation for 2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-2,6-diphenylpyridine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-4,6-diphenylpyrimidine?

The canonical SMILES for 2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-2,6-diphenylpyridine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-4,6-diphenylpyrimidine is CC1(C)c2ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc2-c2c1ccc1c2sc2ccccc21.CC1(C)c2ccc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc2-c2c1ccc1c2oc2ccccc21.CC1(C)c2ccc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc2-c2c1ccc1c2sc2ccccc21.CC1(C)c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc2-c2c1ccc1c2oc2ccccc21.

What is the InChIKey of 2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-2,6-diphenylpyridine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-4,6-diphenylpyrimidine?

The InChIKey is IHVLIDQZOJTLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31NS.C43H30N2O.C43H30N2S.C42H29N3O/c1-44(2)37-22-20-32(25-36(37)42-38(44)23-21-35-34-18-9-10-19-41(34)46-43(35)42)30-16-11-17-31(24-30)33-26-39(28-12-5-3-6-13-28)45-40(27-33)29-14-7-4-8-15-29;2*1-43(2)35-22-20-30(25-34(35)40-36(43)23-21-33-32-18-9-10-19-39(32)46-41(33)40)29-16-11-17-31(24-29)42-44-37(27-12-5-3-6-13-27)26-38(45-42)28-14-7-4-8-15-28;1-42(2)34-22-20-29(25-33(34)37-35(42)23-21-32-31-18-9-10-19-36(31)46-38(32)37)28-16-11-17-30(24-28)41-44-39(26-12-5-3-6-13-26)43-40(45-41)27-14-7-4-8-15-27/h3-27H,1-2H3;2*3-26H,1-2H3;3-25H,1-2H3.

What are the key properties of 2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-2,6-diphenylpyridine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-4,6-diphenylpyrimidine?

2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-2,6-diphenylpyridine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-4,6-diphenylpyrimidine has a molecular weight of 2395.04 g/mol, XLogP of 46.34, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-2,6-diphenylpyridine;2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 158703539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).