2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline

C39H29N — CID 59195716

About 2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline

2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline (PubChem CID 59195716) has the molecular formula C39H29N and a molecular weight of 511.67 g/mol. Its IUPAC name is 2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline.

Molecular Properties

• Compound Name: 2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline
• PubChem CID: 59195716
• Molecular Formula: C39H29N
• Molecular Weight: 511.67 g/mol
• Exact Mass: 511.23
• IUPAC Name: 2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline
• SMILES: Cc1ccc2c(-c3ccc4ccccc4n3)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1
• InChI: InChI=1S/C39H29N/c1-24-16-19-31-32(22-24)37(26-17-20-28-27-11-7-8-14-33(27)39(2,3)34(28)23-26)29-12-5-6-13-30(29)38(31)36-21-18-25-10-4-9-15-35(25)40-36/h4-23H,1-3H3
• InChIKey: WQFWIRGXUJOMIV-UHFFFAOYSA-N
• XLogP: 10.49
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.67
LogP ≤ 5	10.49
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 2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline?

The IUPAC name of 2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline (CID 59195716) is 2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline.

What is the SMILES notation for 2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline?

The canonical SMILES for 2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline is Cc1ccc2c(-c3ccc4ccccc4n3)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1.

What is the InChIKey of 2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline?

The InChIKey is WQFWIRGXUJOMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N/c1-24-16-19-31-32(22-24)37(26-17-20-28-27-11-7-8-14-33(27)39(2,3)34(28)23-26)29-12-5-6-13-30(29)38(31)36-21-18-25-10-4-9-15-35(25)40-36/h4-23H,1-3H3.

What are the key properties of 2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline?

2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline has a molecular weight of 511.67 g/mol, XLogP of 10.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline is sourced from PubChem (CID 59195716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).