2-[7-(2-benzo[h]quinolin-6-ylquinolin-7-yl)quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[7-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-7-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[7-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[7-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline

C211H125N23 — CID 165047840

About 2-[7-(2-benzo[h]quinolin-6-ylquinolin-7-yl)quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[7-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-7-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[7-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[7-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline

2-[7-(2-benzo[h]quinolin-6-ylquinolin-7-yl)quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[7-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-7-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[7-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[7-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline (PubChem CID 165047840) has the molecular formula C211H125N23 and a molecular weight of 2982.48 g/mol. Its IUPAC name is 2-[7-(2-benzo[h]quinolin-6-ylquinolin-7-yl)quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[7-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-7-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[7-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[7-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[7-(2-benzo[h]quinolin-6-ylquinolin-7-yl)quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[7-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-7-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[7-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[7-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline
• PubChem CID: 165047840
• Molecular Formula: C211H125N23
• Molecular Weight: 2982.48 g/mol
• Exact Mass: 2980.05
• IUPAC Name: 2-[7-(2-benzo[h]quinolin-6-ylquinolin-7-yl)quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[7-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-7-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[7-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[7-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline
• SMILES: c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7ccc(-c8ccc9ccc(-c%10ccnc%11c%10ccc%10cccnc%10%11)nc9c8)cc7n6)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc(-c7ccc8ccc(-c9cc%10cccnc%10c%10ccccc9%10)nc8c7)cc6n5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc(-c7ccc8ccc(-c9ccc%10ccc%11ccc(-c%12ccccc%12)nc%11c%10n9)nc8c7)cc6n5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc(-c7ccc8ccc(-c9cccc(-c%10ccc%11ccc%12cccnc%12c%11n%10)c9)nc8c7)cc6n5)nc4c3n2)cc1
• InChI: InChI=1S/3C54H32N6.C49H29N5/c1-3-7-33(8-4-1)43-25-21-37-13-15-39-23-29-47(59-53(39)51(37)57-43)45-27-19-35-11-17-41(31-49(35)55-45)42-18-12-36-20-28-46(56-50(36)32-42)48-30-24-40-16-14-38-22-26-44(34-9-5-2-6-10-34)58-52(38)54(40)60-48;1-2-6-33(7-3-1)44-25-21-38-15-16-39-23-28-48(60-54(39)53(38)58-44)47-27-20-35-12-18-41(32-50(35)57-47)40-17-11-34-19-24-45(56-49(34)31-40)42-8-4-9-43(30-42)46-26-22-37-14-13-36-10-5-29-55-51(36)52(37)59-46;1-2-5-33(6-3-1)46-25-21-39-14-15-40-22-26-47(60-53(40)52(39)59-46)35-10-8-34(9-11-35)45-24-19-36-12-16-41(31-49(36)57-45)42-17-13-37-20-27-48(58-50(37)32-42)43-28-30-56-54-44(43)23-18-38-7-4-29-55-51(38)54;1-2-7-30(8-3-1)41-22-20-33-14-15-34-21-25-44(54-49(34)48(33)53-41)43-24-19-32-13-17-36(29-46(32)52-43)35-16-12-31-18-23-42(51-45(31)28-35)40-27-37-9-6-26-50-47(37)39-11-5-4-10-38(39)40/h3*1-32H;1-29H
• InChIKey: PEMODEDOPBLGDV-UHFFFAOYSA-N
• XLogP: 52.18
• TPSA: 296.47 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2982.48
LogP ≤ 5	52.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-benzo[h]quinolin-6-ylquinolin-7-yl)quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[7-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-7-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[7-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[7-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline?

The IUPAC name of 2-[7-(2-benzo[h]quinolin-6-ylquinolin-7-yl)quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[7-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-7-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[7-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[7-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline (CID 165047840) is 2-[7-(2-benzo[h]quinolin-6-ylquinolin-7-yl)quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[7-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-7-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[7-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[7-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline.

What is the SMILES notation for 2-[7-(2-benzo[h]quinolin-6-ylquinolin-7-yl)quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[7-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-7-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[7-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[7-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline?

The canonical SMILES for 2-[7-(2-benzo[h]quinolin-6-ylquinolin-7-yl)quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[7-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-7-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[7-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[7-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7ccc(-c8ccc9ccc(-c%10ccnc%11c%10ccc%10cccnc%10%11)nc9c8)cc7n6)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc(-c7ccc8ccc(-c9cc%10cccnc%10c%10ccccc9%10)nc8c7)cc6n5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc(-c7ccc8ccc(-c9ccc%10ccc%11ccc(-c%12ccccc%12)nc%11c%10n9)nc8c7)cc6n5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc(-c7ccc8ccc(-c9cccc(-c%10ccc%11ccc%12cccnc%12c%11n%10)c9)nc8c7)cc6n5)nc4c3n2)cc1.

What is the InChIKey of 2-[7-(2-benzo[h]quinolin-6-ylquinolin-7-yl)quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[7-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-7-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[7-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[7-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline?

The InChIKey is PEMODEDOPBLGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C54H32N6.C49H29N5/c1-3-7-33(8-4-1)43-25-21-37-13-15-39-23-29-47(59-53(39)51(37)57-43)45-27-19-35-11-17-41(31-49(35)55-45)42-18-12-36-20-28-46(56-50(36)32-42)48-30-24-40-16-14-38-22-26-44(34-9-5-2-6-10-34)58-52(38)54(40)60-48;1-2-6-33(7-3-1)44-25-21-38-15-16-39-23-28-48(60-54(39)53(38)58-44)47-27-20-35-12-18-41(32-50(35)57-47)40-17-11-34-19-24-45(56-49(34)31-40)42-8-4-9-43(30-42)46-26-22-37-14-13-36-10-5-29-55-51(36)52(37)59-46;1-2-5-33(6-3-1)46-25-21-39-14-15-40-22-26-47(60-53(40)52(39)59-46)35-10-8-34(9-11-35)45-24-19-36-12-16-41(31-49(36)57-45)42-17-13-37-20-27-48(58-50(37)32-42)43-28-30-56-54-44(43)23-18-38-7-4-29-55-51(38)54;1-2-7-30(8-3-1)41-22-20-33-14-15-34-21-25-44(54-49(34)48(33)53-41)43-24-19-32-13-17-36(29-46(32)52-43)35-16-12-31-18-23-42(51-45(31)28-35)40-27-37-9-6-26-50-47(37)39-11-5-4-10-38(39)40/h3*1-32H;1-29H.

What are the key properties of 2-[7-(2-benzo[h]quinolin-6-ylquinolin-7-yl)quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[7-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-7-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[7-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[7-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline?

2-[7-(2-benzo[h]quinolin-6-ylquinolin-7-yl)quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[7-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-7-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[7-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[7-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline has a molecular weight of 2982.48 g/mol, XLogP of 52.18, 19 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(2-benzo[h]quinolin-6-ylquinolin-7-yl)quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[7-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-7-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[7-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[7-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 165047840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).