4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinoline

C137H86N16S3 — CID 165096204

About 4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinoline

4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinoline (PubChem CID 165096204) has the molecular formula C137H86N16S3 and a molecular weight of 2052.51 g/mol. Its IUPAC name is 4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinoline.

Molecular Properties

• Compound Name: 4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinoline
• PubChem CID: 165096204
• Molecular Formula: C137H86N16S3
• Molecular Weight: 2052.51 g/mol
• Exact Mass: 2050.64
• IUPAC Name: 4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinoline
• SMILES: c1ccc(-c2cc(-c3ccc(-c4cccc(-c5nc6ccccc6c6sc(-c7ccccn7)c(-c7ccccn7)c56)c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5sc(-c6cccnc6)c(-c6cccnc6)c45)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6ccccc6c6sc(-c7ccncc7)c(-c7ccncc7)c56)cc4)cc3)nc3ccccc32)cc1
• InChI: InChI=1S/C49H31N5S.C46H29N5S.C42H26N6S/c1-3-14-33(15-4-1)42-31-43(54-49(53-42)35-16-5-2-6-17-35)34-26-24-32(25-27-34)36-18-13-19-37(30-36)46-45-44(40-22-9-11-28-50-40)48(41-23-10-12-29-51-41)55-47(45)38-20-7-8-21-39(38)52-46;1-2-8-36(9-3-1)51-40-13-7-6-12-39(40)50-46(51)35-20-16-31(17-21-35)30-14-18-33(19-15-30)43-42-41(32-22-26-47-27-23-32)44(34-24-28-48-29-25-34)52-45(42)37-10-4-5-11-38(37)49-43;1-2-12-33-32(11-1)42-39(38(29-9-7-19-43-25-29)41(49-42)30-10-8-20-44-26-30)40(48-33)28-17-15-27(16-18-28)31-23-36(34-13-3-5-21-45-34)47-37(24-31)35-14-4-6-22-46-35/h1-31H;1-29H;1-26H
• InChIKey: XNXVMVLKPJKXNV-UHFFFAOYSA-N
• XLogP: 35.04
• TPSA: 198.28 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2052.51
LogP ≤ 5	35.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinoline?

The IUPAC name of 4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinoline (CID 165096204) is 4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinoline.

What is the SMILES notation for 4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinoline?

The canonical SMILES for 4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinoline is c1ccc(-c2cc(-c3ccc(-c4cccc(-c5nc6ccccc6c6sc(-c7ccccn7)c(-c7ccccn7)c56)c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5sc(-c6cccnc6)c(-c6cccnc6)c45)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6ccccc6c6sc(-c7ccncc7)c(-c7ccncc7)c56)cc4)cc3)nc3ccccc32)cc1.

What is the InChIKey of 4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinoline?

The InChIKey is XNXVMVLKPJKXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N5S.C46H29N5S.C42H26N6S/c1-3-14-33(15-4-1)42-31-43(54-49(53-42)35-16-5-2-6-17-35)34-26-24-32(25-27-34)36-18-13-19-37(30-36)46-45-44(40-22-9-11-28-50-40)48(41-23-10-12-29-51-41)55-47(45)38-20-7-8-21-39(38)52-46;1-2-8-36(9-3-1)51-40-13-7-6-12-39(40)50-46(51)35-20-16-31(17-21-35)30-14-18-33(19-15-30)43-42-41(32-22-26-47-27-23-32)44(34-24-28-48-29-25-34)52-45(42)37-10-4-5-11-38(37)49-43;1-2-12-33-32(11-1)42-39(38(29-9-7-19-43-25-29)41(49-42)30-10-8-20-44-26-30)40(48-33)28-17-15-27(16-18-28)31-23-36(34-13-3-5-21-45-34)47-37(24-31)35-14-4-6-22-46-35/h1-31H;1-29H;1-26H.

What are the key properties of 4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinoline?

4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinoline has a molecular weight of 2052.51 g/mol, XLogP of 35.04, 19 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinoline is sourced from PubChem (CID 165096204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).