2-[3-(1,10-phenanthrolin-2-yl)-5-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[3-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline

C141H85N17 — CID 165006532

About 2-[3-(1,10-phenanthrolin-2-yl)-5-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[3-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline

2-[3-(1,10-phenanthrolin-2-yl)-5-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[3-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline (PubChem CID 165006532) has the molecular formula C141H85N17 and a molecular weight of 2017.35 g/mol. Its IUPAC name is 2-[3-(1,10-phenanthrolin-2-yl)-5-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[3-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[3-(1,10-phenanthrolin-2-yl)-5-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[3-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
• PubChem CID: 165006532
• Molecular Formula: C141H85N17
• Molecular Weight: 2017.35 g/mol
• Exact Mass: 2015.72
• IUPAC Name: 2-[3-(1,10-phenanthrolin-2-yl)-5-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[3-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
• SMILES: c1ccc(-c2ccc3ccc(-c4ccc5ccc(-c6cc(-c7ccc8ccc9cccnc9c8n7)cc(-c7ccc8ccc9cccnc9c8n7)c6)nc5c4)cc3n2)nc1.c1ccc(-c2ccc3ccc(-c4ccc5ccc(-c6cccc(-c7cc8cccnc8c8ncccc78)c6)nc5c4)cc3n2)nc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7ccc(-c8ccc9ccc(-c%10ccccn%10)nc9c8)cc7n6)cc5)nc4c3n2)cc1
• InChI: InChI=1S/C53H31N7.C47H29N5.C41H25N5/c1-2-24-54-46(7-1)47-23-17-33-9-15-39(31-49(33)58-47)38-14-8-32-16-20-43(57-48(32)30-38)40-27-41(44-21-18-36-12-10-34-5-3-25-55-50(34)52(36)59-44)29-42(28-40)45-22-19-37-13-11-35-6-4-26-56-51(35)53(37)60-45;1-2-6-30(7-3-1)40-24-21-35-15-16-36-22-25-41(52-47(36)46(35)51-40)32-11-9-31(10-12-32)39-23-19-33-13-17-37(28-44(33)49-39)38-18-14-34-20-26-43(50-45(34)29-38)42-8-4-5-27-48-42;1-2-19-42-36(10-1)37-18-16-27-12-14-29(25-39(27)46-37)28-13-11-26-15-17-35(45-38(26)24-28)31-7-3-6-30(22-31)34-23-32-8-4-20-43-40(32)41-33(34)9-5-21-44-41/h1-31H;1-29H;1-25H
• InChIKey: JAXFFGNNRWRZEF-UHFFFAOYSA-N
• XLogP: 34.26
• TPSA: 219.13 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2017.35
LogP ≤ 5	34.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,10-phenanthrolin-2-yl)-5-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[3-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

The IUPAC name of 2-[3-(1,10-phenanthrolin-2-yl)-5-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[3-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline (CID 165006532) is 2-[3-(1,10-phenanthrolin-2-yl)-5-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[3-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline.

What is the SMILES notation for 2-[3-(1,10-phenanthrolin-2-yl)-5-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[3-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

The canonical SMILES for 2-[3-(1,10-phenanthrolin-2-yl)-5-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[3-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline is c1ccc(-c2ccc3ccc(-c4ccc5ccc(-c6cc(-c7ccc8ccc9cccnc9c8n7)cc(-c7ccc8ccc9cccnc9c8n7)c6)nc5c4)cc3n2)nc1.c1ccc(-c2ccc3ccc(-c4ccc5ccc(-c6cccc(-c7cc8cccnc8c8ncccc78)c6)nc5c4)cc3n2)nc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7ccc(-c8ccc9ccc(-c%10ccccn%10)nc9c8)cc7n6)cc5)nc4c3n2)cc1.

What is the InChIKey of 2-[3-(1,10-phenanthrolin-2-yl)-5-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[3-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

The InChIKey is JAXFFGNNRWRZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N7.C47H29N5.C41H25N5/c1-2-24-54-46(7-1)47-23-17-33-9-15-39(31-49(33)58-47)38-14-8-32-16-20-43(57-48(32)30-38)40-27-41(44-21-18-36-12-10-34-5-3-25-55-50(34)52(36)59-44)29-42(28-40)45-22-19-37-13-11-35-6-4-26-56-51(35)53(37)60-45;1-2-6-30(7-3-1)40-24-21-35-15-16-36-22-25-41(52-47(36)46(35)51-40)32-11-9-31(10-12-32)39-23-19-33-13-17-37(28-44(33)49-39)38-18-14-34-20-26-43(50-45(34)29-38)42-8-4-5-27-48-42;1-2-19-42-36(10-1)37-18-16-27-12-14-29(25-39(27)46-37)28-13-11-26-15-17-35(45-38(26)24-28)31-7-3-6-30(22-31)34-23-32-8-4-20-43-40(32)41-33(34)9-5-21-44-41/h1-31H;1-29H;1-25H.

What are the key properties of 2-[3-(1,10-phenanthrolin-2-yl)-5-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[3-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

2-[3-(1,10-phenanthrolin-2-yl)-5-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[3-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline has a molecular weight of 2017.35 g/mol, XLogP of 34.26, 14 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(1,10-phenanthrolin-2-yl)-5-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[3-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 165006532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).