4-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline

C82H50N10 — CID 160688064

About 4-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline

4-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline (PubChem CID 160688064) has the molecular formula C82H50N10 and a molecular weight of 1175.37 g/mol. Its IUPAC name is 4-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 4-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
• PubChem CID: 160688064
• Molecular Formula: C82H50N10
• Molecular Weight: 1175.37 g/mol
• Exact Mass: 1174.42
• IUPAC Name: 4-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
• SMILES: c1cnc2c(c1)cc(-c1ccc(-c3ccc4cc(-c5ccc6nc(-c7ccncc7)ccc6c5)ccc4n3)cc1)c1cccnc12.c1cnc2c(c1)ccc1c(-c3ccc(-c4ccc5cc(-c6ccc7nc(-c8ccncc8)ccc7c6)ccc5n4)cc3)ccnc12
• InChI: InChI=1S/2C41H25N5/c1-3-33-25-35(34-4-2-20-44-41(34)40(33)43-19-1)26-5-7-27(8-6-26)36-15-11-31-23-29(9-13-38(31)45-36)30-10-14-39-32(24-30)12-16-37(46-39)28-17-21-42-22-18-28;1-2-29-7-12-35-34(19-23-44-41(35)40(29)43-20-1)26-3-5-27(6-4-26)36-15-10-32-24-30(8-13-38(32)45-36)31-9-14-39-33(25-31)11-16-37(46-39)28-17-21-42-22-18-28/h2*1-25H
• InChIKey: RPALPGSXVQAMSP-UHFFFAOYSA-N
• XLogP: 19.88
• TPSA: 128.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1175.37
LogP ≤ 5	19.88
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 4-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

The IUPAC name of 4-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline (CID 160688064) is 4-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline.

What is the SMILES notation for 4-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

The canonical SMILES for 4-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline is c1cnc2c(c1)cc(-c1ccc(-c3ccc4cc(-c5ccc6nc(-c7ccncc7)ccc6c5)ccc4n3)cc1)c1cccnc12.c1cnc2c(c1)ccc1c(-c3ccc(-c4ccc5cc(-c6ccc7nc(-c8ccncc8)ccc7c6)ccc5n4)cc3)ccnc12.

What is the InChIKey of 4-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

The InChIKey is RPALPGSXVQAMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C41H25N5/c1-3-33-25-35(34-4-2-20-44-41(34)40(33)43-19-1)26-5-7-27(8-6-26)36-15-11-31-23-29(9-13-38(31)45-36)30-10-14-39-32(24-30)12-16-37(46-39)28-17-21-42-22-18-28;1-2-29-7-12-35-34(19-23-44-41(35)40(29)43-20-1)26-3-5-27(6-4-26)36-15-10-32-24-30(8-13-38(32)45-36)31-9-14-39-33(25-31)11-16-37(46-39)28-17-21-42-22-18-28/h2*1-25H.

What are the key properties of 4-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

4-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline has a molecular weight of 1175.37 g/mol, XLogP of 19.88, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 160688064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).