8-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline

C58H36N4 — CID 58322624

About 8-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline

8-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline (PubChem CID 58322624) has the molecular formula C58H36N4 and a molecular weight of 788.95 g/mol. Its IUPAC name is 8-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline.

Molecular Properties

• Compound Name: 8-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline
• PubChem CID: 58322624
• Molecular Formula: C58H36N4
• Molecular Weight: 788.95 g/mol
• Exact Mass: 788.29
• IUPAC Name: 8-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline
• SMILES: c1ccc2cc(-c3c4ccccc4c(-c4cc(-c5ccc(-c6cccc7cccnc67)cc5)nc(-c5ccc(-c6cccc7cccnc67)cc5)n4)c4ccccc34)ccc2c1
• InChI: InChI=1S/C58H36N4/c1-2-12-44-35-45(32-23-37(44)11-1)54-48-17-3-5-19-50(48)55(51-20-6-4-18-49(51)54)53-36-52(40-28-24-38(25-29-40)46-21-7-13-41-15-9-33-59-56(41)46)61-58(62-53)43-30-26-39(27-31-43)47-22-8-14-42-16-10-34-60-57(42)47/h1-36H
• InChIKey: GWSXQQOYPJONTP-UHFFFAOYSA-N
• XLogP: 15.03
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.95
LogP ≤ 5	15.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline?

The IUPAC name of 8-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline (CID 58322624) is 8-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline.

What is the SMILES notation for 8-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline?

The canonical SMILES for 8-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline is c1ccc2cc(-c3c4ccccc4c(-c4cc(-c5ccc(-c6cccc7cccnc67)cc5)nc(-c5ccc(-c6cccc7cccnc67)cc5)n4)c4ccccc34)ccc2c1.

What is the InChIKey of 8-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline?

The InChIKey is GWSXQQOYPJONTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4/c1-2-12-44-35-45(32-23-37(44)11-1)54-48-17-3-5-19-50(48)55(51-20-6-4-18-49(51)54)53-36-52(40-28-24-38(25-29-40)46-21-7-13-41-15-9-33-59-56(41)46)61-58(62-53)43-30-26-39(27-31-43)47-22-8-14-42-16-10-34-60-57(42)47/h1-36H.

What are the key properties of 8-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline?

8-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline has a molecular weight of 788.95 g/mol, XLogP of 15.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline is sourced from PubChem (CID 58322624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).