10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine

C44H36N2 — CID 59399619

About 10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine

10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine (PubChem CID 59399619) has the molecular formula C44H36N2 and a molecular weight of 592.79 g/mol. Its IUPAC name is 10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine.

Molecular Properties

• Compound Name: 10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine
• PubChem CID: 59399619
• Molecular Formula: C44H36N2
• Molecular Weight: 592.79 g/mol
• Exact Mass: 592.29
• IUPAC Name: 10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine
• SMILES: CC1(C)c2ccccc2N(c2c3ccccc3c(N3c4ccccc4C(C)(C)c4ccccc43)c3ccccc23)c2ccccc21
• InChI: InChI=1S/C44H36N2/c1-43(2)33-21-9-13-25-37(33)45(38-26-14-10-22-34(38)43)41-29-17-5-7-19-31(29)42(32-20-8-6-18-30(32)41)46-39-27-15-11-23-35(39)44(3,4)36-24-12-16-28-40(36)46/h5-28H,1-4H3
• InChIKey: MWXYWPMSCBCRKX-UHFFFAOYSA-N
• XLogP: 12.21
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.79
LogP ≤ 5	12.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine (CID 59399619) is 10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine.

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

The canonical SMILES for 10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2c3ccccc3c(N3c4ccccc4C(C)(C)c4ccccc43)c3ccccc23)c2ccccc21.

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

The InChIKey is MWXYWPMSCBCRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2/c1-43(2)33-21-9-13-25-37(33)45(38-26-14-10-22-34(38)43)41-29-17-5-7-19-31(29)42(32-20-8-6-18-30(32)41)46-39-27-15-11-23-35(39)44(3,4)36-24-12-16-28-40(36)46/h5-28H,1-4H3.

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

10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine has a molecular weight of 592.79 g/mol, XLogP of 12.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine is sourced from PubChem (CID 59399619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).