1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-(3-methylphenyl)dibenzofuran

C48H34O — CID 159095714

About 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-(3-methylphenyl)dibenzofuran

1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-(3-methylphenyl)dibenzofuran (PubChem CID 159095714) has the molecular formula C48H34O and a molecular weight of 626.80 g/mol. Its IUPAC name is 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-(3-methylphenyl)dibenzofuran.

Molecular Properties

• Compound Name: 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-(3-methylphenyl)dibenzofuran
• PubChem CID: 159095714
• Molecular Formula: C48H34O
• Molecular Weight: 626.80 g/mol
• Exact Mass: 626.26
• IUPAC Name: 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-(3-methylphenyl)dibenzofuran
• SMILES: Cc1cccc(-c2cc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)c3c(c2)oc2ccccc23)c1
• InChI: InChI=1S/C48H34O/c1-29-13-12-14-30(25-29)32-26-40(47-39-20-9-11-22-43(39)49-44(47)28-32)46-37-18-6-4-16-35(37)45(36-17-5-7-19-38(36)46)31-23-24-34-33-15-8-10-21-41(33)48(2,3)42(34)27-31/h4-28H,1-3H3
• InChIKey: KWGYMRGMFMGPBO-UHFFFAOYSA-N
• XLogP: 13.51
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.80
LogP ≤ 5	13.51
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 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-(3-methylphenyl)dibenzofuran?

The IUPAC name of 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-(3-methylphenyl)dibenzofuran (CID 159095714) is 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-(3-methylphenyl)dibenzofuran.

What is the SMILES notation for 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-(3-methylphenyl)dibenzofuran?

The canonical SMILES for 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-(3-methylphenyl)dibenzofuran is Cc1cccc(-c2cc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)c3c(c2)oc2ccccc23)c1.

What is the InChIKey of 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-(3-methylphenyl)dibenzofuran?

The InChIKey is KWGYMRGMFMGPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34O/c1-29-13-12-14-30(25-29)32-26-40(47-39-20-9-11-22-43(39)49-44(47)28-32)46-37-18-6-4-16-35(37)45(36-17-5-7-19-38(36)46)31-23-24-34-33-15-8-10-21-41(33)48(2,3)42(34)27-31/h4-28H,1-3H3.

What are the key properties of 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-(3-methylphenyl)dibenzofuran?

1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-(3-methylphenyl)dibenzofuran has a molecular weight of 626.80 g/mol, XLogP of 13.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-(3-methylphenyl)dibenzofuran is sourced from PubChem (CID 159095714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).