2-phenyl-6-(2-quinolin-3-ylquinolin-7-yl)quinoline;2-[6-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline

C82H50N8 — CID 164982602

About 2-phenyl-6-(2-quinolin-3-ylquinolin-7-yl)quinoline;2-[6-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline

2-phenyl-6-(2-quinolin-3-ylquinolin-7-yl)quinoline;2-[6-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline (PubChem CID 164982602) has the molecular formula C82H50N8 and a molecular weight of 1147.36 g/mol. Its IUPAC name is 2-phenyl-6-(2-quinolin-3-ylquinolin-7-yl)quinoline;2-[6-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-phenyl-6-(2-quinolin-3-ylquinolin-7-yl)quinoline;2-[6-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
• PubChem CID: 164982602
• Molecular Formula: C82H50N8
• Molecular Weight: 1147.36 g/mol
• Exact Mass: 1146.42
• IUPAC Name: 2-phenyl-6-(2-quinolin-3-ylquinolin-7-yl)quinoline;2-[6-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
• SMILES: c1ccc(-c2ccc3cc(-c4ccc5ccc(-c6cnc7ccccc7c6)nc5c4)ccc3n2)cc1.c1ccc2nc(-c3ccc4ccc(-c5ccc6nc(-c7ccc8cc(-c9ccc%10ccc%11cccnc%11c%10n9)ccc8c7)ccc6c5)cc4n3)ccc2c1
• InChI: InChI=1S/C49H29N5.C33H21N3/c1-2-6-41-30(4-1)15-23-45(52-41)46-24-16-31-7-10-37(29-47(31)53-46)36-18-21-42-40(28-36)19-22-43(51-42)38-13-11-35-27-39(14-12-34(35)26-38)44-20-17-33-9-8-32-5-3-25-50-48(32)49(33)54-44;1-2-6-22(7-3-1)30-17-14-27-18-24(13-16-31(27)35-30)25-11-10-23-12-15-32(36-33(23)20-25)28-19-26-8-4-5-9-29(26)34-21-28/h1-29H;1-21H
• InChIKey: FSBDWNLVPPADFI-UHFFFAOYSA-N
• XLogP: 20.58
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1147.36
LogP ≤ 5	20.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-6-(2-quinolin-3-ylquinolin-7-yl)quinoline;2-[6-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline?

The IUPAC name of 2-phenyl-6-(2-quinolin-3-ylquinolin-7-yl)quinoline;2-[6-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline (CID 164982602) is 2-phenyl-6-(2-quinolin-3-ylquinolin-7-yl)quinoline;2-[6-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline.

What is the SMILES notation for 2-phenyl-6-(2-quinolin-3-ylquinolin-7-yl)quinoline;2-[6-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline?

The canonical SMILES for 2-phenyl-6-(2-quinolin-3-ylquinolin-7-yl)quinoline;2-[6-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline is c1ccc(-c2ccc3cc(-c4ccc5ccc(-c6cnc7ccccc7c6)nc5c4)ccc3n2)cc1.c1ccc2nc(-c3ccc4ccc(-c5ccc6nc(-c7ccc8cc(-c9ccc%10ccc%11cccnc%11c%10n9)ccc8c7)ccc6c5)cc4n3)ccc2c1.

What is the InChIKey of 2-phenyl-6-(2-quinolin-3-ylquinolin-7-yl)quinoline;2-[6-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline?

The InChIKey is FSBDWNLVPPADFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N5.C33H21N3/c1-2-6-41-30(4-1)15-23-45(52-41)46-24-16-31-7-10-37(29-47(31)53-46)36-18-21-42-40(28-36)19-22-43(51-42)38-13-11-35-27-39(14-12-34(35)26-38)44-20-17-33-9-8-32-5-3-25-50-48(32)49(33)54-44;1-2-6-22(7-3-1)30-17-14-27-18-24(13-16-31(27)35-30)25-11-10-23-12-15-32(36-33(23)20-25)28-19-26-8-4-5-9-29(26)34-21-28/h1-29H;1-21H.

What are the key properties of 2-phenyl-6-(2-quinolin-3-ylquinolin-7-yl)quinoline;2-[6-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline?

2-phenyl-6-(2-quinolin-3-ylquinolin-7-yl)quinoline;2-[6-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline has a molecular weight of 1147.36 g/mol, XLogP of 20.58, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-6-(2-quinolin-3-ylquinolin-7-yl)quinoline;2-[6-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 164982602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).