4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-methyldibenzofuran

C42H30O — CID 157203018

About 4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-methyldibenzofuran

4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-methyldibenzofuran (PubChem CID 157203018) 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)anthracen-9-yl]-6-methyldibenzofuran.

Molecular Properties

• Compound Name: 4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-methyldibenzofuran
• PubChem CID: 157203018
• Molecular Formula: C42H30O
• Molecular Weight: 550.70 g/mol
• Exact Mass: 550.23
• IUPAC Name: 4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-methyldibenzofuran
• SMILES: Cc1cccc2c1oc1c(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)cccc12
• InChI: InChI=1S/C42H30O/c1-25-12-10-18-33-34-19-11-20-35(41(34)43-40(25)33)39-31-16-6-4-14-29(31)38(30-15-5-7-17-32(30)39)26-22-23-28-27-13-8-9-21-36(27)42(2,3)37(28)24-26/h4-24H,1-3H3
• InChIKey: XCVWSNLGUKREEQ-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)anthracen-9-yl]-6-methyldibenzofuran?

The IUPAC name of 4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-methyldibenzofuran (CID 157203018) is 4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-methyldibenzofuran.

What is the SMILES notation for 4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-methyldibenzofuran?

The canonical SMILES for 4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-methyldibenzofuran is Cc1cccc2c1oc1c(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)cccc12.

What is the InChIKey of 4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-methyldibenzofuran?

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

What are the key properties of 4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-methyldibenzofuran?

4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-methyldibenzofuran 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)anthracen-9-yl]-6-methyldibenzofuran is sourced from PubChem (CID 157203018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).