2-(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile

C38H19N3O2 — CID 153461833

About 2-(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile

2-(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile (PubChem CID 153461833) has the molecular formula C38H19N3O2 and a molecular weight of 549.59 g/mol. Its IUPAC name is 2-(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile.

Molecular Properties

• Compound Name: 2-(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile
• PubChem CID: 153461833
• Molecular Formula: C38H19N3O2
• Molecular Weight: 549.59 g/mol
• Exact Mass: 549.15
• IUPAC Name: 2-(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile
• SMILES: [C-]#[N+]c1ccc(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3c4oc5ccccc5c4ccc32)c(C#N)c1
• InChI: InChI=1S/C38H19N3O2/c1-40-25-12-16-31(24(18-25)21-39)41-32-15-11-22(23-10-13-28-26-6-2-4-8-34(26)42-36(28)20-23)19-30(32)37-33(41)17-14-29-27-7-3-5-9-35(27)43-38(29)37/h2-20H
• InChIKey: UQIICOITVJQKPC-UHFFFAOYSA-N
• XLogP: 10.67
• TPSA: 59.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.59
LogP ≤ 5	10.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile?

The IUPAC name of 2-(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile (CID 153461833) is 2-(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile.

What is the SMILES notation for 2-(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile?

The canonical SMILES for 2-(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile is [C-]#[N+]c1ccc(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3c4oc5ccccc5c4ccc32)c(C#N)c1.

What is the InChIKey of 2-(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile?

The InChIKey is UQIICOITVJQKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H19N3O2/c1-40-25-12-16-31(24(18-25)21-39)41-32-15-11-22(23-10-13-28-26-6-2-4-8-34(26)42-36(28)20-23)19-30(32)37-33(41)17-14-29-27-7-3-5-9-35(27)43-38(29)37/h2-20H.

What are the key properties of 2-(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile?

2-(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile has a molecular weight of 549.59 g/mol, XLogP of 10.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile is sourced from PubChem (CID 153461833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).