4-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline

C60H37N7S — CID 164716285

About 4-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline

4-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline (PubChem CID 164716285) has the molecular formula C60H37N7S and a molecular weight of 888.07 g/mol. Its IUPAC name is 4-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline.

Molecular Properties

• Compound Name: 4-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline
• PubChem CID: 164716285
• Molecular Formula: C60H37N7S
• Molecular Weight: 888.07 g/mol
• Exact Mass: 887.28
• IUPAC Name: 4-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline
• SMILES: c1ccc(-c2nc(-c3ccc(-c4cccc(-c5nc6ccccc6c6sc(-c7ccccn7)c(-c7ccccn7)c56)c4)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
• InChI: InChI=1S/C60H37N7S/c1-2-16-39(17-3-1)58-64-59(66-60(65-58)43-20-15-21-44(37-43)67-51-28-8-5-22-45(51)46-23-6-9-29-52(46)67)40-32-30-38(31-33-40)41-18-14-19-42(36-41)55-54-53(49-26-10-12-34-61-49)57(50-27-11-13-35-62-50)68-56(54)47-24-4-7-25-48(47)63-55/h1-37H
• InChIKey: GYGZGEDJKKHRHZ-UHFFFAOYSA-N
• XLogP: 15.19
• TPSA: 82.27 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	888.07
LogP ≤ 5	15.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline?

The IUPAC name of 4-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline (CID 164716285) is 4-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline.

What is the SMILES notation for 4-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline?

The canonical SMILES for 4-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline is c1ccc(-c2nc(-c3ccc(-c4cccc(-c5nc6ccccc6c6sc(-c7ccccn7)c(-c7ccccn7)c56)c4)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.

What is the InChIKey of 4-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline?

The InChIKey is GYGZGEDJKKHRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N7S/c1-2-16-39(17-3-1)58-64-59(66-60(65-58)43-20-15-21-44(37-43)67-51-28-8-5-22-45(51)46-23-6-9-29-52(46)67)40-32-30-38(31-33-40)41-18-14-19-42(36-41)55-54-53(49-26-10-12-34-61-49)57(50-27-11-13-35-62-50)68-56(54)47-24-4-7-25-48(47)63-55/h1-37H.

What are the key properties of 4-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline?

4-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline has a molecular weight of 888.07 g/mol, XLogP of 15.19, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline is sourced from PubChem (CID 164716285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).