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

C173H106N10S3 — CID 165099393

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

3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline;3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline;4-phenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-triphenylen-2-ylthieno[3,2-c]quinoline (PubChem CID 165099393) has the molecular formula C173H106N10S3 and a molecular weight of 2421.02 g/mol. Its IUPAC name is 3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline;3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline;4-phenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-triphenylen-2-ylthieno[3,2-c]quinoline.

Molecular Properties

• Compound Name: 3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline;3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline;4-phenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-triphenylen-2-ylthieno[3,2-c]quinoline
• PubChem CID: 165099393
• Molecular Formula: C173H106N10S3
• Molecular Weight: 2421.02 g/mol
• Exact Mass: 2418.78
• IUPAC Name: 3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline;3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline;4-phenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-triphenylen-2-ylthieno[3,2-c]quinoline
• SMILES: c1ccc(-c2cc(-c3cccc(-c4cccc(-c5c(-c6ccc7c8ccccc8c8ccccc8c7c6)sc6c5c(-c5ccccc5)nc5ccccc56)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc3ccccc3c3sc(-c4ccc5c6ccccc6c6ccccc6c5c4)c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c23)cc1.c1ccc(-c2nc3ccccc3c3sc(-c4ccc5c6ccccc6c6ccccc6c5c4)c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c23)cc1
• InChI: InChI=1S/C63H39N3S.C56H34N4S.C54H33N3S/c1-4-18-40(19-5-1)56-39-57(66-63(65-56)42-22-8-3-9-23-42)45-26-16-24-43(36-45)44-25-17-27-46(37-44)58-59-60(41-20-6-2-7-21-41)64-55-33-15-14-32-53(55)62(59)67-61(58)47-34-35-52-50-30-11-10-28-48(50)49-29-12-13-31-51(49)54(52)38-47;1-2-14-37(15-3-1)54-53-52(36-26-24-35(25-27-36)39-33-50(48-22-10-12-30-57-48)59-51(34-39)49-23-11-13-31-58-49)55(61-56(53)45-20-8-9-21-47(45)60-54)38-28-29-44-42-18-5-4-16-40(42)41-17-6-7-19-43(41)46(44)32-38;1-3-15-35(16-4-1)51-50-49(34-27-29-36(30-28-34)54-56-47-25-13-14-26-48(47)57(54)38-17-5-2-6-18-38)52(58-53(50)44-23-11-12-24-46(44)55-51)37-31-32-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)45(43)33-37/h1-39H;1-34H;1-33H
• InChIKey: YBJQRCWCWRICTA-UHFFFAOYSA-N
• XLogP: 47.38
• TPSA: 120.94 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2421.02
LogP ≤ 5	47.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline;3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline;4-phenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-triphenylen-2-ylthieno[3,2-c]quinoline (CID 165099393) is 3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline;3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline;4-phenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-triphenylen-2-ylthieno[3,2-c]quinoline.

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

The canonical SMILES for 3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline;3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline;4-phenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-triphenylen-2-ylthieno[3,2-c]quinoline is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5c(-c6ccc7c8ccccc8c8ccccc8c7c6)sc6c5c(-c5ccccc5)nc5ccccc56)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc3ccccc3c3sc(-c4ccc5c6ccccc6c6ccccc6c5c4)c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c23)cc1.c1ccc(-c2nc3ccccc3c3sc(-c4ccc5c6ccccc6c6ccccc6c5c4)c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c23)cc1.

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

The InChIKey is YBJQRCWCWRICTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N3S.C56H34N4S.C54H33N3S/c1-4-18-40(19-5-1)56-39-57(66-63(65-56)42-22-8-3-9-23-42)45-26-16-24-43(36-45)44-25-17-27-46(37-44)58-59-60(41-20-6-2-7-21-41)64-55-33-15-14-32-53(55)62(59)67-61(58)47-34-35-52-50-30-11-10-28-48(50)49-29-12-13-31-51(49)54(52)38-47;1-2-14-37(15-3-1)54-53-52(36-26-24-35(25-27-36)39-33-50(48-22-10-12-30-57-48)59-51(34-39)49-23-11-13-31-58-49)55(61-56(53)45-20-8-9-21-47(45)60-54)38-28-29-44-42-18-5-4-16-40(42)41-17-6-7-19-43(41)46(44)32-38;1-3-15-35(16-4-1)51-50-49(34-27-29-36(30-28-34)54-56-47-25-13-14-26-48(47)57(54)38-17-5-2-6-18-38)52(58-53(50)44-23-11-12-24-46(44)55-51)37-31-32-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)45(43)33-37/h1-39H;1-34H;1-33H.

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

3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline;3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline;4-phenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-triphenylen-2-ylthieno[3,2-c]quinoline has a molecular weight of 2421.02 g/mol, XLogP of 47.38, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline;3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline;4-phenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-triphenylen-2-ylthieno[3,2-c]quinoline is sourced from PubChem (CID 165099393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).