12-(9,9-dimethylfluoren-2-yl)-3,9-dimethylquinolino[8,7-h]quinoline

C33H26N2 — CID 67991367

About 12-(9,9-dimethylfluoren-2-yl)-3,9-dimethylquinolino[8,7-h]quinoline

12-(9,9-dimethylfluoren-2-yl)-3,9-dimethylquinolino[8,7-h]quinoline (PubChem CID 67991367) has the molecular formula C33H26N2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 12-(9,9-dimethylfluoren-2-yl)-3,9-dimethylquinolino[8,7-h]quinoline.

Molecular Properties

• Compound Name: 12-(9,9-dimethylfluoren-2-yl)-3,9-dimethylquinolino[8,7-h]quinoline
• PubChem CID: 67991367
• Molecular Formula: C33H26N2
• Molecular Weight: 450.59 g/mol
• Exact Mass: 450.21
• IUPAC Name: 12-(9,9-dimethylfluoren-2-yl)-3,9-dimethylquinolino[8,7-h]quinoline
• SMILES: Cc1ccc2ccc3c(cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(C)nc43)c2n1
• InChI: InChI=1S/C33H26N2/c1-19-9-11-21-12-16-26-28(31(21)34-19)18-27(25-14-10-20(2)35-32(25)26)22-13-15-24-23-7-5-6-8-29(23)33(3,4)30(24)17-22/h5-18H,1-4H3
• InChIKey: RQKORFHRPBIPPY-UHFFFAOYSA-N
• XLogP: 8.53
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.59
LogP ≤ 5	8.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12-(9,9-dimethylfluoren-2-yl)-3,9-dimethylquinolino[8,7-h]quinoline?

The IUPAC name of 12-(9,9-dimethylfluoren-2-yl)-3,9-dimethylquinolino[8,7-h]quinoline (CID 67991367) is 12-(9,9-dimethylfluoren-2-yl)-3,9-dimethylquinolino[8,7-h]quinoline.

What is the SMILES notation for 12-(9,9-dimethylfluoren-2-yl)-3,9-dimethylquinolino[8,7-h]quinoline?

The canonical SMILES for 12-(9,9-dimethylfluoren-2-yl)-3,9-dimethylquinolino[8,7-h]quinoline is Cc1ccc2ccc3c(cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(C)nc43)c2n1.

What is the InChIKey of 12-(9,9-dimethylfluoren-2-yl)-3,9-dimethylquinolino[8,7-h]quinoline?

The InChIKey is RQKORFHRPBIPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2/c1-19-9-11-21-12-16-26-28(31(21)34-19)18-27(25-14-10-20(2)35-32(25)26)22-13-15-24-23-7-5-6-8-29(23)33(3,4)30(24)17-22/h5-18H,1-4H3.

What are the key properties of 12-(9,9-dimethylfluoren-2-yl)-3,9-dimethylquinolino[8,7-h]quinoline?

12-(9,9-dimethylfluoren-2-yl)-3,9-dimethylquinolino[8,7-h]quinoline has a molecular weight of 450.59 g/mol, XLogP of 8.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(9,9-dimethylfluoren-2-yl)-3,9-dimethylquinolino[8,7-h]quinoline is sourced from PubChem (CID 67991367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).