2-phenyl-4-[4-[2-[4-(2-phenyl-6-thiophen-2-ylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-6-thiophen-2-ylpyrimidine

C43H32N4S2 — CID 121315468

About 2-phenyl-4-[4-[2-[4-(2-phenyl-6-thiophen-2-ylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-6-thiophen-2-ylpyrimidine

2-phenyl-4-[4-[2-[4-(2-phenyl-6-thiophen-2-ylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-6-thiophen-2-ylpyrimidine (PubChem CID 121315468) has the molecular formula C43H32N4S2 and a molecular weight of 668.89 g/mol. Its IUPAC name is 2-phenyl-4-[4-[2-[4-(2-phenyl-6-thiophen-2-ylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-6-thiophen-2-ylpyrimidine.

Molecular Properties

• Compound Name: 2-phenyl-4-[4-[2-[4-(2-phenyl-6-thiophen-2-ylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-6-thiophen-2-ylpyrimidine
• PubChem CID: 121315468
• Molecular Formula: C43H32N4S2
• Molecular Weight: 668.89 g/mol
• Exact Mass: 668.21
• IUPAC Name: 2-phenyl-4-[4-[2-[4-(2-phenyl-6-thiophen-2-ylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-6-thiophen-2-ylpyrimidine
• SMILES: CC(C)(c1ccc(-c2cc(-c3cccs3)nc(-c3ccccc3)n2)cc1)c1ccc(-c2cc(-c3cccs3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C43H32N4S2/c1-43(2,33-21-17-29(18-22-33)35-27-37(39-15-9-25-48-39)46-41(44-35)31-11-5-3-6-12-31)34-23-19-30(20-24-34)36-28-38(40-16-10-26-49-40)47-42(45-36)32-13-7-4-8-14-32/h3-28H,1-2H3
• InChIKey: LSXFBGWCMAHTLS-UHFFFAOYSA-N
• XLogP: 11.72
• TPSA: 51.56 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.89
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-[2-[4-(2-phenyl-6-thiophen-2-ylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-6-thiophen-2-ylpyrimidine?

The IUPAC name of 2-phenyl-4-[4-[2-[4-(2-phenyl-6-thiophen-2-ylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-6-thiophen-2-ylpyrimidine (CID 121315468) is 2-phenyl-4-[4-[2-[4-(2-phenyl-6-thiophen-2-ylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-6-thiophen-2-ylpyrimidine.

What is the SMILES notation for 2-phenyl-4-[4-[2-[4-(2-phenyl-6-thiophen-2-ylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-6-thiophen-2-ylpyrimidine?

The canonical SMILES for 2-phenyl-4-[4-[2-[4-(2-phenyl-6-thiophen-2-ylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-6-thiophen-2-ylpyrimidine is CC(C)(c1ccc(-c2cc(-c3cccs3)nc(-c3ccccc3)n2)cc1)c1ccc(-c2cc(-c3cccs3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 2-phenyl-4-[4-[2-[4-(2-phenyl-6-thiophen-2-ylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-6-thiophen-2-ylpyrimidine?

The InChIKey is LSXFBGWCMAHTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N4S2/c1-43(2,33-21-17-29(18-22-33)35-27-37(39-15-9-25-48-39)46-41(44-35)31-11-5-3-6-12-31)34-23-19-30(20-24-34)36-28-38(40-16-10-26-49-40)47-42(45-36)32-13-7-4-8-14-32/h3-28H,1-2H3.

What are the key properties of 2-phenyl-4-[4-[2-[4-(2-phenyl-6-thiophen-2-ylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-6-thiophen-2-ylpyrimidine?

2-phenyl-4-[4-[2-[4-(2-phenyl-6-thiophen-2-ylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-6-thiophen-2-ylpyrimidine has a molecular weight of 668.89 g/mol, XLogP of 11.72, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-[4-[2-[4-(2-phenyl-6-thiophen-2-ylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-6-thiophen-2-ylpyrimidine is sourced from PubChem (CID 121315468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).