4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran

C42H30O — CID 59195065

About 4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran

4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran (PubChem CID 59195065) has the molecular formula C42H30O and a molecular weight of 550.70 g/mol. Its IUPAC name is 4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran.

Molecular Properties

• Compound Name: 4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran
• PubChem CID: 59195065
• Molecular Formula: C42H30O
• Molecular Weight: 550.70 g/mol
• Exact Mass: 550.23
• IUPAC Name: 4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran
• SMILES: Cc1ccc2c(-c3cccc4c3oc3ccccc34)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1
• InChI: InChI=1S/C42H30O/c1-25-19-21-32-35(23-25)39(26-20-22-28-27-11-6-8-17-36(27)42(2,3)37(28)24-26)30-13-4-5-14-31(30)40(32)34-16-10-15-33-29-12-7-9-18-38(29)43-41(33)34/h4-24H,1-3H3
• InChIKey: PKJQXFCUWDWRJH-UHFFFAOYSA-N
• XLogP: 11.84
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.70
LogP ≤ 5	11.84
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 4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran?

The IUPAC name of 4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran (CID 59195065) is 4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran.

What is the SMILES notation for 4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran?

The canonical SMILES for 4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran is Cc1ccc2c(-c3cccc4c3oc3ccccc34)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1.

What is the InChIKey of 4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran?

The InChIKey is PKJQXFCUWDWRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30O/c1-25-19-21-32-35(23-25)39(26-20-22-28-27-11-6-8-17-36(27)42(2,3)37(28)24-26)30-13-4-5-14-31(30)40(32)34-16-10-15-33-29-12-7-9-18-38(29)43-41(33)34/h4-24H,1-3H3.

What are the key properties of 4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran?

4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran has a molecular weight of 550.70 g/mol, XLogP of 11.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran is sourced from PubChem (CID 59195065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).