1-dibenzofuran-3-yl-2-(1-dibenzofuran-3-yl-2-ethenylindol-3-yl)-3-methylindole

C43H28N2O2 — CID 154935473

About 1-dibenzofuran-3-yl-2-(1-dibenzofuran-3-yl-2-ethenylindol-3-yl)-3-methylindole

1-dibenzofuran-3-yl-2-(1-dibenzofuran-3-yl-2-ethenylindol-3-yl)-3-methylindole (PubChem CID 154935473) has the molecular formula C43H28N2O2 and a molecular weight of 604.71 g/mol. Its IUPAC name is 1-dibenzofuran-3-yl-2-(1-dibenzofuran-3-yl-2-ethenylindol-3-yl)-3-methylindole.

Molecular Properties

• Compound Name: 1-dibenzofuran-3-yl-2-(1-dibenzofuran-3-yl-2-ethenylindol-3-yl)-3-methylindole
• PubChem CID: 154935473
• Molecular Formula: C43H28N2O2
• Molecular Weight: 604.71 g/mol
• Exact Mass: 604.22
• IUPAC Name: 1-dibenzofuran-3-yl-2-(1-dibenzofuran-3-yl-2-ethenylindol-3-yl)-3-methylindole
• SMILES: C=Cc1c(-c2c(C)c3ccccc3n2-c2ccc3c(c2)oc2ccccc23)c2ccccc2n1-c1ccc2c(c1)oc1ccccc12
• InChI: InChI=1S/C43H28N2O2/c1-3-35-42(34-15-5-9-17-37(34)44(35)27-20-22-32-30-13-6-10-18-38(30)46-40(32)24-27)43-26(2)29-12-4-8-16-36(29)45(43)28-21-23-33-31-14-7-11-19-39(31)47-41(33)25-28/h3-25H,1H2,2H3
• InChIKey: CJWVIYVFHGBVJT-UHFFFAOYSA-N
• XLogP: 11.99
• TPSA: 36.14 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.71
LogP ≤ 5	11.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indole_3yl_alk_B(1)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-3-yl-2-(1-dibenzofuran-3-yl-2-ethenylindol-3-yl)-3-methylindole?

The IUPAC name of 1-dibenzofuran-3-yl-2-(1-dibenzofuran-3-yl-2-ethenylindol-3-yl)-3-methylindole (CID 154935473) is 1-dibenzofuran-3-yl-2-(1-dibenzofuran-3-yl-2-ethenylindol-3-yl)-3-methylindole.

What is the SMILES notation for 1-dibenzofuran-3-yl-2-(1-dibenzofuran-3-yl-2-ethenylindol-3-yl)-3-methylindole?

The canonical SMILES for 1-dibenzofuran-3-yl-2-(1-dibenzofuran-3-yl-2-ethenylindol-3-yl)-3-methylindole is C=Cc1c(-c2c(C)c3ccccc3n2-c2ccc3c(c2)oc2ccccc23)c2ccccc2n1-c1ccc2c(c1)oc1ccccc12.

What is the InChIKey of 1-dibenzofuran-3-yl-2-(1-dibenzofuran-3-yl-2-ethenylindol-3-yl)-3-methylindole?

The InChIKey is CJWVIYVFHGBVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O2/c1-3-35-42(34-15-5-9-17-37(34)44(35)27-20-22-32-30-13-6-10-18-38(30)46-40(32)24-27)43-26(2)29-12-4-8-16-36(29)45(43)28-21-23-33-31-14-7-11-19-39(31)47-41(33)25-28/h3-25H,1H2,2H3.

What are the key properties of 1-dibenzofuran-3-yl-2-(1-dibenzofuran-3-yl-2-ethenylindol-3-yl)-3-methylindole?

1-dibenzofuran-3-yl-2-(1-dibenzofuran-3-yl-2-ethenylindol-3-yl)-3-methylindole has a molecular weight of 604.71 g/mol, XLogP of 11.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-dibenzofuran-3-yl-2-(1-dibenzofuran-3-yl-2-ethenylindol-3-yl)-3-methylindole is sourced from PubChem (CID 154935473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).