2-phenyl-5-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-9-[3-[3-[9-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthrolin-2-yl]phenyl]phenyl]-1,10-phenanthroline

C88H52N10 — CID 129208722

About 2-phenyl-5-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-9-[3-[3-[9-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthrolin-2-yl]phenyl]phenyl]-1,10-phenanthroline

2-phenyl-5-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-9-[3-[3-[9-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthrolin-2-yl]phenyl]phenyl]-1,10-phenanthroline (PubChem CID 129208722) has the molecular formula C88H52N10 and a molecular weight of 1249.45 g/mol. Its IUPAC name is 2-phenyl-5-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-9-[3-[3-[9-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthrolin-2-yl]phenyl]phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-phenyl-5-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-9-[3-[3-[9-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthrolin-2-yl]phenyl]phenyl]-1,10-phenanthroline
• PubChem CID: 129208722
• Molecular Formula: C88H52N10
• Molecular Weight: 1249.45 g/mol
• Exact Mass: 1248.44
• IUPAC Name: 2-phenyl-5-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-9-[3-[3-[9-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthrolin-2-yl]phenyl]phenyl]-1,10-phenanthroline
• SMILES: c1ccc(-c2ccc3c(-c4ccc5cc(-c6ccc7nc(-c8ccccn8)ccc7c6)ccc5n4)cc4ccc(-c5cccc(-c6cccc(-c7ccc8ccc9ccc(-c%10ccc%11cc(-c%12ccc%13nc(-c%14ccccn%14)ccc%13c%12)ccc%11n%10)nc9c8n7)c6)c5)nc4c3n2)cc1
• InChI: InChI=1S/C88H52N10/c1-2-10-53(11-3-1)71-43-31-69-70(78-38-26-64-48-58(22-33-72(64)91-78)59-23-34-73-65(49-59)27-40-81(92-73)79-16-4-6-44-89-79)52-68-30-37-77(96-87(68)88(69)97-71)63-15-9-13-57(47-63)56-12-8-14-62(46-56)76-32-20-54-18-19-55-21-39-84(98-86(55)85(54)95-76)83-42-29-67-51-61(25-36-75(67)94-83)60-24-35-74-66(50-60)28-41-82(93-74)80-17-5-7-45-90-80/h1-52H
• InChIKey: QEPLBVRMEVSXLN-UHFFFAOYSA-N
• XLogP: 21.53
• TPSA: 128.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1249.45
LogP ≤ 5	21.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-9-[3-[3-[9-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthrolin-2-yl]phenyl]phenyl]-1,10-phenanthroline?

The IUPAC name of 2-phenyl-5-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-9-[3-[3-[9-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthrolin-2-yl]phenyl]phenyl]-1,10-phenanthroline (CID 129208722) is 2-phenyl-5-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-9-[3-[3-[9-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthrolin-2-yl]phenyl]phenyl]-1,10-phenanthroline.

What is the SMILES notation for 2-phenyl-5-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-9-[3-[3-[9-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthrolin-2-yl]phenyl]phenyl]-1,10-phenanthroline?

The canonical SMILES for 2-phenyl-5-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-9-[3-[3-[9-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthrolin-2-yl]phenyl]phenyl]-1,10-phenanthroline is c1ccc(-c2ccc3c(-c4ccc5cc(-c6ccc7nc(-c8ccccn8)ccc7c6)ccc5n4)cc4ccc(-c5cccc(-c6cccc(-c7ccc8ccc9ccc(-c%10ccc%11cc(-c%12ccc%13nc(-c%14ccccn%14)ccc%13c%12)ccc%11n%10)nc9c8n7)c6)c5)nc4c3n2)cc1.

What is the InChIKey of 2-phenyl-5-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-9-[3-[3-[9-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthrolin-2-yl]phenyl]phenyl]-1,10-phenanthroline?

The InChIKey is QEPLBVRMEVSXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H52N10/c1-2-10-53(11-3-1)71-43-31-69-70(78-38-26-64-48-58(22-33-72(64)91-78)59-23-34-73-65(49-59)27-40-81(92-73)79-16-4-6-44-89-79)52-68-30-37-77(96-87(68)88(69)97-71)63-15-9-13-57(47-63)56-12-8-14-62(46-56)76-32-20-54-18-19-55-21-39-84(98-86(55)85(54)95-76)83-42-29-67-51-61(25-36-75(67)94-83)60-24-35-74-66(50-60)28-41-82(93-74)80-17-5-7-45-90-80/h1-52H.

What are the key properties of 2-phenyl-5-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-9-[3-[3-[9-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthrolin-2-yl]phenyl]phenyl]-1,10-phenanthroline?

2-phenyl-5-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-9-[3-[3-[9-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthrolin-2-yl]phenyl]phenyl]-1,10-phenanthroline has a molecular weight of 1249.45 g/mol, XLogP of 21.53, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-5-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-9-[3-[3-[9-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthrolin-2-yl]phenyl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 129208722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).