N-[4-[9,10-dinaphthalen-2-yl-6-[4-[pyridin-2-yl(quinolin-2-yl)amino]phenyl]anthracen-2-yl]phenyl]-N-pyridin-2-ylquinolin-2-amine

C74H48N6 — CID 58121678

About N-[4-[9,10-dinaphthalen-2-yl-6-[4-[pyridin-2-yl(quinolin-2-yl)amino]phenyl]anthracen-2-yl]phenyl]-N-pyridin-2-ylquinolin-2-amine

N-[4-[9,10-dinaphthalen-2-yl-6-[4-[pyridin-2-yl(quinolin-2-yl)amino]phenyl]anthracen-2-yl]phenyl]-N-pyridin-2-ylquinolin-2-amine (PubChem CID 58121678) has the molecular formula C74H48N6 and a molecular weight of 1021.24 g/mol. Its IUPAC name is N-[4-[9,10-dinaphthalen-2-yl-6-[4-[pyridin-2-yl(quinolin-2-yl)amino]phenyl]anthracen-2-yl]phenyl]-N-pyridin-2-ylquinolin-2-amine.

Molecular Properties

• Compound Name: N-[4-[9,10-dinaphthalen-2-yl-6-[4-[pyridin-2-yl(quinolin-2-yl)amino]phenyl]anthracen-2-yl]phenyl]-N-pyridin-2-ylquinolin-2-amine
• PubChem CID: 58121678
• Molecular Formula: C74H48N6
• Molecular Weight: 1021.24 g/mol
• Exact Mass: 1020.39
• IUPAC Name: N-[4-[9,10-dinaphthalen-2-yl-6-[4-[pyridin-2-yl(quinolin-2-yl)amino]phenyl]anthracen-2-yl]phenyl]-N-pyridin-2-ylquinolin-2-amine
• SMILES: c1ccc(N(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5cc(-c6ccc(N(c7ccccn7)c7ccc8ccccc8n7)cc6)ccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c2ccc3ccccc3n2)nc1
• InChI: InChI=1S/C74H48N6/c1-3-17-55-45-59(25-23-49(55)13-1)73-63-39-31-58(52-29-37-62(38-30-52)80(70-22-10-12-44-76-70)72-42-34-54-16-6-8-20-68(54)78-72)48-66(63)74(60-26-24-50-14-2-4-18-56(50)46-60)64-40-32-57(47-65(64)73)51-27-35-61(36-28-51)79(69-21-9-11-43-75-69)71-41-33-53-15-5-7-19-67(53)77-71/h1-48H
• InChIKey: SPVNMWGODBCOPG-UHFFFAOYSA-N
• XLogP: 19.79
• TPSA: 58.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1021.24
LogP ≤ 5	19.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[9,10-dinaphthalen-2-yl-6-[4-[pyridin-2-yl(quinolin-2-yl)amino]phenyl]anthracen-2-yl]phenyl]-N-pyridin-2-ylquinolin-2-amine?

The IUPAC name of N-[4-[9,10-dinaphthalen-2-yl-6-[4-[pyridin-2-yl(quinolin-2-yl)amino]phenyl]anthracen-2-yl]phenyl]-N-pyridin-2-ylquinolin-2-amine (CID 58121678) is N-[4-[9,10-dinaphthalen-2-yl-6-[4-[pyridin-2-yl(quinolin-2-yl)amino]phenyl]anthracen-2-yl]phenyl]-N-pyridin-2-ylquinolin-2-amine.

What is the SMILES notation for N-[4-[9,10-dinaphthalen-2-yl-6-[4-[pyridin-2-yl(quinolin-2-yl)amino]phenyl]anthracen-2-yl]phenyl]-N-pyridin-2-ylquinolin-2-amine?

The canonical SMILES for N-[4-[9,10-dinaphthalen-2-yl-6-[4-[pyridin-2-yl(quinolin-2-yl)amino]phenyl]anthracen-2-yl]phenyl]-N-pyridin-2-ylquinolin-2-amine is c1ccc(N(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5cc(-c6ccc(N(c7ccccn7)c7ccc8ccccc8n7)cc6)ccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c2ccc3ccccc3n2)nc1.

What is the InChIKey of N-[4-[9,10-dinaphthalen-2-yl-6-[4-[pyridin-2-yl(quinolin-2-yl)amino]phenyl]anthracen-2-yl]phenyl]-N-pyridin-2-ylquinolin-2-amine?

The InChIKey is SPVNMWGODBCOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N6/c1-3-17-55-45-59(25-23-49(55)13-1)73-63-39-31-58(52-29-37-62(38-30-52)80(70-22-10-12-44-76-70)72-42-34-54-16-6-8-20-68(54)78-72)48-66(63)74(60-26-24-50-14-2-4-18-56(50)46-60)64-40-32-57(47-65(64)73)51-27-35-61(36-28-51)79(69-21-9-11-43-75-69)71-41-33-53-15-5-7-19-67(53)77-71/h1-48H.

What are the key properties of N-[4-[9,10-dinaphthalen-2-yl-6-[4-[pyridin-2-yl(quinolin-2-yl)amino]phenyl]anthracen-2-yl]phenyl]-N-pyridin-2-ylquinolin-2-amine?

N-[4-[9,10-dinaphthalen-2-yl-6-[4-[pyridin-2-yl(quinolin-2-yl)amino]phenyl]anthracen-2-yl]phenyl]-N-pyridin-2-ylquinolin-2-amine has a molecular weight of 1021.24 g/mol, XLogP of 19.79, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[9,10-dinaphthalen-2-yl-6-[4-[pyridin-2-yl(quinolin-2-yl)amino]phenyl]anthracen-2-yl]phenyl]-N-pyridin-2-ylquinolin-2-amine is sourced from PubChem (CID 58121678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).