4-phenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline

C55H35N5S — CID 164716878

About 4-phenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline

4-phenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline (PubChem CID 164716878) has the molecular formula C55H35N5S and a molecular weight of 797.99 g/mol. Its IUPAC name is 4-phenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline.

Molecular Properties

• Compound Name: 4-phenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline
• PubChem CID: 164716878
• Molecular Formula: C55H35N5S
• Molecular Weight: 797.99 g/mol
• Exact Mass: 797.26
• IUPAC Name: 4-phenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline
• SMILES: c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6nc(-c7ccccc7)c7c(-c8ccccn8)c(-c8ccccn8)sc7c6c5)cc4)nc(-c4ccccc4)n3)cc2)cc1
• InChI: InChI=1S/C55H35N5S/c1-4-14-36(15-5-1)37-22-26-39(27-23-37)48-35-49(60-55(59-48)42-18-8-3-9-19-42)40-28-24-38(25-29-40)43-30-31-45-44(34-43)53-51(52(58-45)41-16-6-2-7-17-41)50(46-20-10-12-32-56-46)54(61-53)47-21-11-13-33-57-47/h1-35H
• InChIKey: HWNZHHNFSBDJOF-UHFFFAOYSA-N
• XLogP: 14.37
• TPSA: 64.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.99
LogP ≤ 5	14.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline?

The IUPAC name of 4-phenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline (CID 164716878) is 4-phenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline.

What is the SMILES notation for 4-phenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline?

The canonical SMILES for 4-phenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6nc(-c7ccccc7)c7c(-c8ccccn8)c(-c8ccccn8)sc7c6c5)cc4)nc(-c4ccccc4)n3)cc2)cc1.

What is the InChIKey of 4-phenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline?

The InChIKey is HWNZHHNFSBDJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N5S/c1-4-14-36(15-5-1)37-22-26-39(27-23-37)48-35-49(60-55(59-48)42-18-8-3-9-19-42)40-28-24-38(25-29-40)43-30-31-45-44(34-43)53-51(52(58-45)41-16-6-2-7-17-41)50(46-20-10-12-32-56-46)54(61-53)47-21-11-13-33-57-47/h1-35H.

What are the key properties of 4-phenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline?

4-phenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline has a molecular weight of 797.99 g/mol, XLogP of 14.37, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline is sourced from PubChem (CID 164716878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).