7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-hydroxyquinolin-7-yl)anthracen-9-yl]quinolin-8-ol

C48H30N4O2 — CID 136502667

About 7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-hydroxyquinolin-7-yl)anthracen-9-yl]quinolin-8-ol

7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-hydroxyquinolin-7-yl)anthracen-9-yl]quinolin-8-ol (PubChem CID 136502667) has the molecular formula C48H30N4O2 and a molecular weight of 694.79 g/mol. Its IUPAC name is 7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-hydroxyquinolin-7-yl)anthracen-9-yl]quinolin-8-ol.

Molecular Properties

• Compound Name: 7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-hydroxyquinolin-7-yl)anthracen-9-yl]quinolin-8-ol
• PubChem CID: 136502667
• Molecular Formula: C48H30N4O2
• Molecular Weight: 694.79 g/mol
• Exact Mass: 694.24
• IUPAC Name: 7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-hydroxyquinolin-7-yl)anthracen-9-yl]quinolin-8-ol
• SMILES: Oc1c(-c2c3ccccc3c(-c3ccc4cccnc4c3O)c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)ccc2cccnc12
• InChI: InChI=1S/C48H30N4O2/c53-46-37(23-19-30-15-9-25-49-44(30)46)42-34-17-7-8-18-35(34)43(38-24-20-31-16-10-26-50-45(31)47(38)54)39-27-33(21-22-36(39)42)41-28-40(29-11-3-1-4-12-29)51-48(52-41)32-13-5-2-6-14-32/h1-28,53-54H
• InChIKey: PZQLZJXGADZPQC-UHFFFAOYSA-N
• XLogP: 11.63
• TPSA: 92.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	694.79
LogP ≤ 5	11.63
H-Bond Donors ≤ 5	2
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 7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-hydroxyquinolin-7-yl)anthracen-9-yl]quinolin-8-ol?

The IUPAC name of 7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-hydroxyquinolin-7-yl)anthracen-9-yl]quinolin-8-ol (CID 136502667) is 7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-hydroxyquinolin-7-yl)anthracen-9-yl]quinolin-8-ol.

What is the SMILES notation for 7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-hydroxyquinolin-7-yl)anthracen-9-yl]quinolin-8-ol?

The canonical SMILES for 7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-hydroxyquinolin-7-yl)anthracen-9-yl]quinolin-8-ol is Oc1c(-c2c3ccccc3c(-c3ccc4cccnc4c3O)c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)ccc2cccnc12.

What is the InChIKey of 7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-hydroxyquinolin-7-yl)anthracen-9-yl]quinolin-8-ol?

The InChIKey is PZQLZJXGADZPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4O2/c53-46-37(23-19-30-15-9-25-49-44(30)46)42-34-17-7-8-18-35(34)43(38-24-20-31-16-10-26-50-45(31)47(38)54)39-27-33(21-22-36(39)42)41-28-40(29-11-3-1-4-12-29)51-48(52-41)32-13-5-2-6-14-32/h1-28,53-54H.

What are the key properties of 7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-hydroxyquinolin-7-yl)anthracen-9-yl]quinolin-8-ol?

7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-hydroxyquinolin-7-yl)anthracen-9-yl]quinolin-8-ol has a molecular weight of 694.79 g/mol, XLogP of 11.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-hydroxyquinolin-7-yl)anthracen-9-yl]quinolin-8-ol is sourced from PubChem (CID 136502667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).