3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine

C44H35N — CID 59195073

About 3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine

3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine (PubChem CID 59195073) has the molecular formula C44H35N and a molecular weight of 577.77 g/mol. Its IUPAC name is 3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine.

Molecular Properties

• Compound Name: 3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine
• PubChem CID: 59195073
• Molecular Formula: C44H35N
• Molecular Weight: 577.77 g/mol
• Exact Mass: 577.28
• IUPAC Name: 3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine
• SMILES: Cc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3C4)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1
• InChI: InChI=1S/C44H35N/c1-27-17-21-35-37(23-27)43(30-20-22-39-36(25-30)32-12-8-9-15-38(32)44(39,2)3)34-14-7-6-13-33(34)42(35)31-19-18-29-24-28-11-5-10-16-40(28)45(4)41(29)26-31/h5-23,25-26H,24H2,1-4H3
• InChIKey: SMCDRXNURGAGIK-UHFFFAOYSA-N
• XLogP: 11.61
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.77
LogP ≤ 5	11.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine?

The IUPAC name of 3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine (CID 59195073) is 3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine.

What is the SMILES notation for 3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine?

The canonical SMILES for 3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine is Cc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3C4)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1.

What is the InChIKey of 3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine?

The InChIKey is SMCDRXNURGAGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N/c1-27-17-21-35-37(23-27)43(30-20-22-39-36(25-30)32-12-8-9-15-38(32)44(39,2)3)34-14-7-6-13-33(34)42(35)31-19-18-29-24-28-11-5-10-16-40(28)45(4)41(29)26-31/h5-23,25-26H,24H2,1-4H3.

What are the key properties of 3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine?

3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine has a molecular weight of 577.77 g/mol, XLogP of 11.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine is sourced from PubChem (CID 59195073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).