2-[4-[7-(8-naphthalen-2-ylquinolin-2-yl)quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[4-[7-(6-phenylquinolin-2-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline

C100H62N8 — CID 165106685

About 2-[4-[7-(8-naphthalen-2-ylquinolin-2-yl)quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[4-[7-(6-phenylquinolin-2-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline

2-[4-[7-(8-naphthalen-2-ylquinolin-2-yl)quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[4-[7-(6-phenylquinolin-2-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline (PubChem CID 165106685) has the molecular formula C100H62N8 and a molecular weight of 1375.65 g/mol. Its IUPAC name is 2-[4-[7-(8-naphthalen-2-ylquinolin-2-yl)quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[4-[7-(6-phenylquinolin-2-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[4-[7-(8-naphthalen-2-ylquinolin-2-yl)quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[4-[7-(6-phenylquinolin-2-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
• PubChem CID: 165106685
• Molecular Formula: C100H62N8
• Molecular Weight: 1375.65 g/mol
• Exact Mass: 1374.51
• IUPAC Name: 2-[4-[7-(8-naphthalen-2-ylquinolin-2-yl)quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[4-[7-(6-phenylquinolin-2-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
• SMILES: c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7ccc(-c8ccc9cccc(-c%10ccc%11ccccc%11c%10)c9n8)cc7n6)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3nc(-c4ccc5ccc(-c6ccc(-c7ccc8ccc9ccc(-c%10ccccc%10)nc9c8n7)cc6)nc5c4)ccc3c2)cc1
• InChI: InChI=1S/C52H32N4.C48H30N4/c1-2-8-34(9-3-1)46-28-25-39-19-20-40-26-29-47(56-52(40)51(39)55-46)36-16-14-35(15-17-36)45-27-23-37-18-22-43(32-49(37)53-45)48-30-24-38-11-6-12-44(50(38)54-48)42-21-13-33-7-4-5-10-41(33)31-42;1-3-7-31(8-4-1)38-22-27-44-39(29-38)23-28-45(49-44)40-18-15-35-19-24-41(50-46(35)30-40)33-11-13-34(14-12-33)43-26-21-37-17-16-36-20-25-42(32-9-5-2-6-10-32)51-47(36)48(37)52-43/h1-32H;1-30H
• InChIKey: ZGHPTFBCJRYLPB-UHFFFAOYSA-N
• XLogP: 25.58
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1375.65
LogP ≤ 5	25.58
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-[4-[7-(8-naphthalen-2-ylquinolin-2-yl)quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[4-[7-(6-phenylquinolin-2-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

The IUPAC name of 2-[4-[7-(8-naphthalen-2-ylquinolin-2-yl)quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[4-[7-(6-phenylquinolin-2-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline (CID 165106685) is 2-[4-[7-(8-naphthalen-2-ylquinolin-2-yl)quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[4-[7-(6-phenylquinolin-2-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline.

What is the SMILES notation for 2-[4-[7-(8-naphthalen-2-ylquinolin-2-yl)quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[4-[7-(6-phenylquinolin-2-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

The canonical SMILES for 2-[4-[7-(8-naphthalen-2-ylquinolin-2-yl)quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[4-[7-(6-phenylquinolin-2-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7ccc(-c8ccc9cccc(-c%10ccc%11ccccc%11c%10)c9n8)cc7n6)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3nc(-c4ccc5ccc(-c6ccc(-c7ccc8ccc9ccc(-c%10ccccc%10)nc9c8n7)cc6)nc5c4)ccc3c2)cc1.

What is the InChIKey of 2-[4-[7-(8-naphthalen-2-ylquinolin-2-yl)quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[4-[7-(6-phenylquinolin-2-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

The InChIKey is ZGHPTFBCJRYLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4.C48H30N4/c1-2-8-34(9-3-1)46-28-25-39-19-20-40-26-29-47(56-52(40)51(39)55-46)36-16-14-35(15-17-36)45-27-23-37-18-22-43(32-49(37)53-45)48-30-24-38-11-6-12-44(50(38)54-48)42-21-13-33-7-4-5-10-41(33)31-42;1-3-7-31(8-4-1)38-22-27-44-39(29-38)23-28-45(49-44)40-18-15-35-19-24-41(50-46(35)30-40)33-11-13-34(14-12-33)43-26-21-37-17-16-36-20-25-42(32-9-5-2-6-10-32)51-47(36)48(37)52-43/h1-32H;1-30H.

What are the key properties of 2-[4-[7-(8-naphthalen-2-ylquinolin-2-yl)quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[4-[7-(6-phenylquinolin-2-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

2-[4-[7-(8-naphthalen-2-ylquinolin-2-yl)quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[4-[7-(6-phenylquinolin-2-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline has a molecular weight of 1375.65 g/mol, XLogP of 25.58, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[7-(8-naphthalen-2-ylquinolin-2-yl)quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[4-[7-(6-phenylquinolin-2-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 165106685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).