2-[10-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline

C102H60N10 — CID 165012040

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

2-[10-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline (PubChem CID 165012040) has the molecular formula C102H60N10 and a molecular weight of 1425.67 g/mol. Its IUPAC name is 2-[10-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[10-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
• PubChem CID: 165012040
• Molecular Formula: C102H60N10
• Molecular Weight: 1425.67 g/mol
• Exact Mass: 1424.50
• IUPAC Name: 2-[10-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
• SMILES: c1cc(-c2ccc3ccc(-c4ccc5ccc(-c6c7ccccc7c(-c7ccc8ccc9cccnc9c8n7)c7ccccc67)nc5c4)cc3n2)c2cnccc2c1.c1cc(-c2ccc3ccc(-c4ccc5ccc(-c6ccc(-c7ccc8ccc9cccnc9c8n7)c7ccccc67)nc5c4)cc3n2)c2cnccc2c1
• InChI: InChI=1S/C53H31N5.C49H29N5/c1-3-11-42-40(9-1)50(41-10-2-4-12-43(41)51(42)47-25-22-36-17-16-35-8-6-27-55-52(35)53(36)58-47)46-24-21-34-15-19-38(30-49(34)57-46)37-18-14-33-20-23-45(56-48(33)29-37)39-13-5-7-32-26-28-54-31-44(32)39;1-2-8-38-37(7-1)40(19-20-41(38)45-23-18-34-13-12-33-6-4-25-51-48(33)49(34)54-45)44-22-17-32-11-15-36(28-47(32)53-44)35-14-10-31-16-21-43(52-46(31)27-35)39-9-3-5-30-24-26-50-29-42(30)39/h1-31H;1-29H
• InChIKey: JVTBLTAIXAAZSJ-UHFFFAOYSA-N
• XLogP: 25.65
• TPSA: 128.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1425.67
LogP ≤ 5	25.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[10-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline?

The IUPAC name of 2-[10-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline (CID 165012040) is 2-[10-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline.

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

The canonical SMILES for 2-[10-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline is c1cc(-c2ccc3ccc(-c4ccc5ccc(-c6c7ccccc7c(-c7ccc8ccc9cccnc9c8n7)c7ccccc67)nc5c4)cc3n2)c2cnccc2c1.c1cc(-c2ccc3ccc(-c4ccc5ccc(-c6ccc(-c7ccc8ccc9cccnc9c8n7)c7ccccc67)nc5c4)cc3n2)c2cnccc2c1.

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

The InChIKey is JVTBLTAIXAAZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N5.C49H29N5/c1-3-11-42-40(9-1)50(41-10-2-4-12-43(41)51(42)47-25-22-36-17-16-35-8-6-27-55-52(35)53(36)58-47)46-24-21-34-15-19-38(30-49(34)57-46)37-18-14-33-20-23-45(56-48(33)29-37)39-13-5-7-32-26-28-54-31-44(32)39;1-2-8-38-37(7-1)40(19-20-41(38)45-23-18-34-13-12-33-6-4-25-51-48(33)49(34)54-45)44-22-17-32-11-15-36(28-47(32)53-44)35-14-10-31-16-21-43(52-46(31)27-35)39-9-3-5-30-24-26-50-29-42(30)39/h1-31H;1-29H.

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

2-[10-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline has a molecular weight of 1425.67 g/mol, XLogP of 25.65, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline is sourced from PubChem (CID 165012040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).