10-[6-(9,9-dimethylacridin-10-yl)pyren-1-yl]-9,9-dimethylacridine

C46H36N2 — CID 58489773

About 10-[6-(9,9-dimethylacridin-10-yl)pyren-1-yl]-9,9-dimethylacridine

10-[6-(9,9-dimethylacridin-10-yl)pyren-1-yl]-9,9-dimethylacridine (PubChem CID 58489773) has the molecular formula C46H36N2 and a molecular weight of 616.81 g/mol. Its IUPAC name is 10-[6-(9,9-dimethylacridin-10-yl)pyren-1-yl]-9,9-dimethylacridine.

Molecular Properties

• Compound Name: 10-[6-(9,9-dimethylacridin-10-yl)pyren-1-yl]-9,9-dimethylacridine
• PubChem CID: 58489773
• Molecular Formula: C46H36N2
• Molecular Weight: 616.81 g/mol
• Exact Mass: 616.29
• IUPAC Name: 10-[6-(9,9-dimethylacridin-10-yl)pyren-1-yl]-9,9-dimethylacridine
• SMILES: CC1(C)c2ccccc2N(c2ccc3ccc4c(N5c6ccccc6C(C)(C)c6ccccc65)ccc5ccc2c3c54)c2ccccc21
• InChI: InChI=1S/C46H36N2/c1-45(2)33-13-5-9-17-39(33)47(40-18-10-6-14-34(40)45)37-27-23-29-22-26-32-38(28-24-30-21-25-31(37)43(29)44(30)32)48-41-19-11-7-15-35(41)46(3,4)36-16-8-12-20-42(36)48/h5-28H,1-4H3
• InChIKey: PQUPPEJRMAGWMQ-UHFFFAOYSA-N
• XLogP: 12.80
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.81
LogP ≤ 5	12.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[6-(9,9-dimethylacridin-10-yl)pyren-1-yl]-9,9-dimethylacridine?

The IUPAC name of 10-[6-(9,9-dimethylacridin-10-yl)pyren-1-yl]-9,9-dimethylacridine (CID 58489773) is 10-[6-(9,9-dimethylacridin-10-yl)pyren-1-yl]-9,9-dimethylacridine.

What is the SMILES notation for 10-[6-(9,9-dimethylacridin-10-yl)pyren-1-yl]-9,9-dimethylacridine?

The canonical SMILES for 10-[6-(9,9-dimethylacridin-10-yl)pyren-1-yl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc3ccc4c(N5c6ccccc6C(C)(C)c6ccccc65)ccc5ccc2c3c54)c2ccccc21.

What is the InChIKey of 10-[6-(9,9-dimethylacridin-10-yl)pyren-1-yl]-9,9-dimethylacridine?

The InChIKey is PQUPPEJRMAGWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N2/c1-45(2)33-13-5-9-17-39(33)47(40-18-10-6-14-34(40)45)37-27-23-29-22-26-32-38(28-24-30-21-25-31(37)43(29)44(30)32)48-41-19-11-7-15-35(41)46(3,4)36-16-8-12-20-42(36)48/h5-28H,1-4H3.

What are the key properties of 10-[6-(9,9-dimethylacridin-10-yl)pyren-1-yl]-9,9-dimethylacridine?

10-[6-(9,9-dimethylacridin-10-yl)pyren-1-yl]-9,9-dimethylacridine has a molecular weight of 616.81 g/mol, XLogP of 12.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[6-(9,9-dimethylacridin-10-yl)pyren-1-yl]-9,9-dimethylacridine is sourced from PubChem (CID 58489773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).