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

C102H60N12 — CID 165088310

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

4-[7-[2-[4-(1,10-phenanthrolin-4-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline (PubChem CID 165088310) has the molecular formula C102H60N12 and a molecular weight of 1453.69 g/mol. Its IUPAC name is 4-[7-[2-[4-(1,10-phenanthrolin-4-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline.

Molecular Properties

• Compound Name: 4-[7-[2-[4-(1,10-phenanthrolin-4-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline
• PubChem CID: 165088310
• Molecular Formula: C102H60N12
• Molecular Weight: 1453.69 g/mol
• Exact Mass: 1452.51
• IUPAC Name: 4-[7-[2-[4-(1,10-phenanthrolin-4-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline
• SMILES: c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7cc(-c8ccc9ccc(-c%10ccnc%11c%10ccc%10cccnc%10%11)nc9c8)ccc7n6)cc5)nc4c3n2)cc1.c1cnc2c(c1)ccc1c(-c3ccc(-c4ccc5cc(-c6ccc7ccc(-c8ccnc9c8ccc8cccnc89)nc7c6)ccc5n4)cc3)ccnc12
• InChI: InChI=1S/C54H32N6.C48H28N6/c1-2-5-33(6-3-1)46-23-18-38-13-14-39-19-24-47(60-53(39)52(38)59-46)35-10-8-34(9-11-35)45-26-21-42-31-40(20-25-48(42)57-45)41-15-12-36-17-27-49(58-50(36)32-41)43-28-30-56-54-44(43)22-16-37-7-4-29-55-51(37)54;1-3-32-11-16-39-37(21-25-51-47(39)45(32)49-23-1)29-5-7-30(8-6-29)41-19-15-36-27-34(14-18-42(36)53-41)35-10-9-31-13-20-43(54-44(31)28-35)38-22-26-52-48-40(38)17-12-33-4-2-24-50-46(33)48/h1-32H;1-28H
• InChIKey: WGQPMNWJUSCWJG-UHFFFAOYSA-N
• XLogP: 24.95
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1453.69
LogP ≤ 5	24.95
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 4-[7-[2-[4-(1,10-phenanthrolin-4-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline?

The IUPAC name of 4-[7-[2-[4-(1,10-phenanthrolin-4-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline (CID 165088310) is 4-[7-[2-[4-(1,10-phenanthrolin-4-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline.

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

The canonical SMILES for 4-[7-[2-[4-(1,10-phenanthrolin-4-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7cc(-c8ccc9ccc(-c%10ccnc%11c%10ccc%10cccnc%10%11)nc9c8)ccc7n6)cc5)nc4c3n2)cc1.c1cnc2c(c1)ccc1c(-c3ccc(-c4ccc5cc(-c6ccc7ccc(-c8ccnc9c8ccc8cccnc89)nc7c6)ccc5n4)cc3)ccnc12.

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

The InChIKey is WGQPMNWJUSCWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N6.C48H28N6/c1-2-5-33(6-3-1)46-23-18-38-13-14-39-19-24-47(60-53(39)52(38)59-46)35-10-8-34(9-11-35)45-26-21-42-31-40(20-25-48(42)57-45)41-15-12-36-17-27-49(58-50(36)32-41)43-28-30-56-54-44(43)22-16-37-7-4-29-55-51(37)54;1-3-32-11-16-39-37(21-25-51-47(39)45(32)49-23-1)29-5-7-30(8-6-29)41-19-15-36-27-34(14-18-42(36)53-41)35-10-9-31-13-20-43(54-44(31)28-35)38-22-26-52-48-40(38)17-12-33-4-2-24-50-46(33)48/h1-32H;1-28H.

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

4-[7-[2-[4-(1,10-phenanthrolin-4-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline has a molecular weight of 1453.69 g/mol, XLogP of 24.95, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-[2-[4-(1,10-phenanthrolin-4-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 165088310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).