2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline

C104H60N12 — CID 165104577

About 2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline

2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline (PubChem CID 165104577) has the molecular formula C104H60N12 and a molecular weight of 1477.71 g/mol. Its IUPAC name is 2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
• PubChem CID: 165104577
• Molecular Formula: C104H60N12
• Molecular Weight: 1477.71 g/mol
• Exact Mass: 1476.51
• IUPAC Name: 2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
• SMILES: c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5cc(-c6ccc7ccc(-c8ccnc9c8ccc8cccnc89)nc7c6)ccc5n4)c4ccccc34)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc4cc(-c5ccc6cc(-c7ccc8ccc(-c9ccnc%10c9ccc9cccnc9%10)nc8c7)ccc6n5)ccc4c3)nc12
• InChI: InChI=1S/2C52H30N6/c1-3-32-6-7-34-15-19-46(58-51(34)49(32)53-24-1)40-12-10-35-27-39(11-9-36(35)28-40)45-21-17-41-29-37(16-20-44(41)56-45)38-8-5-31-14-22-47(57-48(31)30-38)42-23-26-55-52-43(42)18-13-33-4-2-25-54-50(33)52;1-2-8-39-38(7-1)40(19-20-41(39)47-23-15-34-11-10-32-5-3-26-53-49(32)51(34)58-47)45-24-17-37-29-35(16-21-44(37)56-45)36-12-9-31-14-22-46(57-48(31)30-36)42-25-28-55-52-43(42)18-13-33-6-4-27-54-50(33)52/h2*1-30H
• InChIKey: YXJZRDANTILXCU-UHFFFAOYSA-N
• XLogP: 25.59
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1477.71
LogP ≤ 5	25.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline?

The IUPAC name of 2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline (CID 165104577) is 2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline.

What is the SMILES notation for 2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline?

The canonical SMILES for 2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline is c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5cc(-c6ccc7ccc(-c8ccnc9c8ccc8cccnc89)nc7c6)ccc5n4)c4ccccc34)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc4cc(-c5ccc6cc(-c7ccc8ccc(-c9ccnc%10c9ccc9cccnc9%10)nc8c7)ccc6n5)ccc4c3)nc12.

What is the InChIKey of 2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline?

The InChIKey is YXJZRDANTILXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H30N6/c1-3-32-6-7-34-15-19-46(58-51(34)49(32)53-24-1)40-12-10-35-27-39(11-9-36(35)28-40)45-21-17-41-29-37(16-20-44(41)56-45)38-8-5-31-14-22-47(57-48(31)30-38)42-23-26-55-52-43(42)18-13-33-4-2-25-54-50(33)52;1-2-8-39-38(7-1)40(19-20-41(39)47-23-15-34-11-10-32-5-3-26-53-49(32)51(34)58-47)45-24-17-37-29-35(16-21-44(37)56-45)36-12-9-31-14-22-46(57-48(31)30-36)42-25-28-55-52-43(42)18-13-33-6-4-27-54-50(33)52/h2*1-30H.

What are the key properties of 2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline?

2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline has a molecular weight of 1477.71 g/mol, XLogP of 25.59, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 165104577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).