3-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine

C43H28N2O — CID 58410373

About 3-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine

3-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine (PubChem CID 58410373) has the molecular formula C43H28N2O and a molecular weight of 588.71 g/mol. Its IUPAC name is 3-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine.

Molecular Properties

• Compound Name: 3-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine
• PubChem CID: 58410373
• Molecular Formula: C43H28N2O
• Molecular Weight: 588.71 g/mol
• Exact Mass: 588.22
• IUPAC Name: 3-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine
• SMILES: CC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(-c3cnc4c5ccccc5c5ccccc5c4n3)cc21
• InChI: InChI=1S/C43H28N2O/c1-43(2)36-22-26(25-17-20-40-35(21-25)32-11-7-8-14-39(32)46-40)15-18-30(36)31-19-16-27(23-37(31)43)38-24-44-41-33-12-5-3-9-28(33)29-10-4-6-13-34(29)42(41)45-38/h3-24H,1-2H3
• InChIKey: NAQCRRBFYRHROW-UHFFFAOYSA-N
• XLogP: 11.48
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.71
LogP ≤ 5	11.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine?

The IUPAC name of 3-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine (CID 58410373) is 3-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine.

What is the SMILES notation for 3-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine?

The canonical SMILES for 3-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine is CC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(-c3cnc4c5ccccc5c5ccccc5c4n3)cc21.

What is the InChIKey of 3-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine?

The InChIKey is NAQCRRBFYRHROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O/c1-43(2)36-22-26(25-17-20-40-35(21-25)32-11-7-8-14-39(32)46-40)15-18-30(36)31-19-16-27(23-37(31)43)38-24-44-41-33-12-5-3-9-28(33)29-10-4-6-13-34(29)42(41)45-38/h3-24H,1-2H3.

What are the key properties of 3-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine?

3-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine has a molecular weight of 588.71 g/mol, XLogP of 11.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 58410373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).