1-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]-9,9,10-trimethylacridine

C61H52N2 — CID 155334294

About 1-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]-9,9,10-trimethylacridine

1-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]-9,9,10-trimethylacridine (PubChem CID 155334294) has the molecular formula C61H52N2 and a molecular weight of 813.10 g/mol. Its IUPAC name is 1-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]-9,9,10-trimethylacridine.

Molecular Properties

• Compound Name: 1-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]-9,9,10-trimethylacridine
• PubChem CID: 155334294
• Molecular Formula: C61H52N2
• Molecular Weight: 813.10 g/mol
• Exact Mass: 812.41
• IUPAC Name: 1-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]-9,9,10-trimethylacridine
• SMILES: CN1c2ccccc2C(C)(C)c2c(-c3cccc4c(-c5cccc6c5-c5ccccc5C6(C)C)c5cccc(-c6cccc7c6C(C)(C)c6ccccc6N7C)c5cc34)cccc21
• InChI: InChI=1S/C61H52N2/c1-59(2)47-28-10-9-20-43(47)56-44(27-17-31-50(56)59)55-39-23-15-21-37(41-25-18-34-53-57(41)60(3,4)48-29-11-13-32-51(48)62(53)7)45(39)36-46-38(22-16-24-40(46)55)42-26-19-35-54-58(42)61(5,6)49-30-12-14-33-52(49)63(54)8/h9-36H,1-8H3
• InChIKey: JRYJZLDMTRTLLR-UHFFFAOYSA-N
• XLogP: 16.11
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.10
LogP ≤ 5	16.11
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 1-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]-9,9,10-trimethylacridine?

The IUPAC name of 1-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]-9,9,10-trimethylacridine (CID 155334294) is 1-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]-9,9,10-trimethylacridine.

What is the SMILES notation for 1-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]-9,9,10-trimethylacridine?

The canonical SMILES for 1-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]-9,9,10-trimethylacridine is CN1c2ccccc2C(C)(C)c2c(-c3cccc4c(-c5cccc6c5-c5ccccc5C6(C)C)c5cccc(-c6cccc7c6C(C)(C)c6ccccc6N7C)c5cc34)cccc21.

What is the InChIKey of 1-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]-9,9,10-trimethylacridine?

The InChIKey is JRYJZLDMTRTLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H52N2/c1-59(2)47-28-10-9-20-43(47)56-44(27-17-31-50(56)59)55-39-23-15-21-37(41-25-18-34-53-57(41)60(3,4)48-29-11-13-32-51(48)62(53)7)45(39)36-46-38(22-16-24-40(46)55)42-26-19-35-54-58(42)61(5,6)49-30-12-14-33-52(49)63(54)8/h9-36H,1-8H3.

What are the key properties of 1-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]-9,9,10-trimethylacridine?

1-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]-9,9,10-trimethylacridine has a molecular weight of 813.10 g/mol, XLogP of 16.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]-9,9,10-trimethylacridine is sourced from PubChem (CID 155334294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).