10-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine

C64H48N2 — CID 59219732

About 10-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine

10-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine (PubChem CID 59219732) has the molecular formula C64H48N2 and a molecular weight of 845.10 g/mol. Its IUPAC name is 10-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine.

Molecular Properties

• Compound Name: 10-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine
• PubChem CID: 59219732
• Molecular Formula: C64H48N2
• Molecular Weight: 845.10 g/mol
• Exact Mass: 844.38
• IUPAC Name: 10-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine
• SMILES: CC1(C)c2ccccc2N(c2ccc3c(-c4ccc5ccccc5c4)c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc4c(-c4ccc5ccccc5c4)c3c2)c2ccccc21
• InChI: InChI=1S/C64H48N2/c1-63(2)53-21-9-13-25-57(53)65(58-26-14-10-22-54(58)63)47-33-35-49-51(39-47)61(45-31-29-41-17-5-7-19-43(41)37-45)50-36-34-48(40-52(50)62(49)46-32-30-42-18-6-8-20-44(42)38-46)66-59-27-15-11-23-55(59)64(3,4)56-24-12-16-28-60(56)66/h5-40H,1-4H3
• InChIKey: OACOOEHHBYWGKM-UHFFFAOYSA-N
• XLogP: 17.85
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	845.10
LogP ≤ 5	17.85
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-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine?

The IUPAC name of 10-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine (CID 59219732) is 10-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine.

What is the SMILES notation for 10-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine?

The canonical SMILES for 10-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc3c(-c4ccc5ccccc5c4)c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc4c(-c4ccc5ccccc5c4)c3c2)c2ccccc21.

What is the InChIKey of 10-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine?

The InChIKey is OACOOEHHBYWGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N2/c1-63(2)53-21-9-13-25-57(53)65(58-26-14-10-22-54(58)63)47-33-35-49-51(39-47)61(45-31-29-41-17-5-7-19-43(41)37-45)50-36-34-48(40-52(50)62(49)46-32-30-42-18-6-8-20-44(42)38-46)66-59-27-15-11-23-55(59)64(3,4)56-24-12-16-28-60(56)66/h5-40H,1-4H3.

What are the key properties of 10-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine?

10-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine has a molecular weight of 845.10 g/mol, XLogP of 17.85, 4 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)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine is sourced from PubChem (CID 59219732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).