(7E)-2-dibenzofuran-1-yl-8-dibenzofuran-4-yl-7-methyl-4-naphthalen-2-yl-5,6-dihydro-1,3-diazocine

C41H28N2O2 — CID 170296058

About (7E)-2-dibenzofuran-1-yl-8-dibenzofuran-4-yl-7-methyl-4-naphthalen-2-yl-5,6-dihydro-1,3-diazocine

(7E)-2-dibenzofuran-1-yl-8-dibenzofuran-4-yl-7-methyl-4-naphthalen-2-yl-5,6-dihydro-1,3-diazocine (PubChem CID 170296058) has the molecular formula C41H28N2O2 and a molecular weight of 580.69 g/mol. Its IUPAC name is (7E)-2-dibenzofuran-1-yl-8-dibenzofuran-4-yl-7-methyl-4-naphthalen-2-yl-5,6-dihydro-1,3-diazocine.

Molecular Properties

• Compound Name: (7E)-2-dibenzofuran-1-yl-8-dibenzofuran-4-yl-7-methyl-4-naphthalen-2-yl-5,6-dihydro-1,3-diazocine
• PubChem CID: 170296058
• Molecular Formula: C41H28N2O2
• Molecular Weight: 580.69 g/mol
• Exact Mass: 580.22
• IUPAC Name: (7E)-2-dibenzofuran-1-yl-8-dibenzofuran-4-yl-7-methyl-4-naphthalen-2-yl-5,6-dihydro-1,3-diazocine
• SMILES: C/C1=C(c2cccc3c2oc2ccccc23)/N=C(c2cccc3oc4ccccc4c23)\N=C(\c2ccc3ccccc3c2)CC1
• InChI: InChI=1S/C41H28N2O2/c1-25-20-23-34(28-22-21-26-10-2-3-11-27(26)24-28)42-41(32-15-9-19-37-38(32)31-13-5-7-18-36(31)44-37)43-39(25)33-16-8-14-30-29-12-4-6-17-35(29)45-40(30)33/h2-19,21-22,24H,20,23H2,1H3/b39-25-,42-34+,43-41-
• InChIKey: VCBMFBORYDENIT-ZUSKBKLRSA-N
• XLogP: 11.10
• TPSA: 51.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.69
LogP ≤ 5	11.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (7E)-2-dibenzofuran-1-yl-8-dibenzofuran-4-yl-7-methyl-4-naphthalen-2-yl-5,6-dihydro-1,3-diazocine?

The IUPAC name of (7E)-2-dibenzofuran-1-yl-8-dibenzofuran-4-yl-7-methyl-4-naphthalen-2-yl-5,6-dihydro-1,3-diazocine (CID 170296058) is (7E)-2-dibenzofuran-1-yl-8-dibenzofuran-4-yl-7-methyl-4-naphthalen-2-yl-5,6-dihydro-1,3-diazocine.

What is the SMILES notation for (7E)-2-dibenzofuran-1-yl-8-dibenzofuran-4-yl-7-methyl-4-naphthalen-2-yl-5,6-dihydro-1,3-diazocine?

The canonical SMILES for (7E)-2-dibenzofuran-1-yl-8-dibenzofuran-4-yl-7-methyl-4-naphthalen-2-yl-5,6-dihydro-1,3-diazocine is C/C1=C(c2cccc3c2oc2ccccc23)/N=C(c2cccc3oc4ccccc4c23)\N=C(\c2ccc3ccccc3c2)CC1.

What is the InChIKey of (7E)-2-dibenzofuran-1-yl-8-dibenzofuran-4-yl-7-methyl-4-naphthalen-2-yl-5,6-dihydro-1,3-diazocine?

The InChIKey is VCBMFBORYDENIT-ZUSKBKLRSA-N. The full InChI is InChI=1S/C41H28N2O2/c1-25-20-23-34(28-22-21-26-10-2-3-11-27(26)24-28)42-41(32-15-9-19-37-38(32)31-13-5-7-18-36(31)44-37)43-39(25)33-16-8-14-30-29-12-4-6-17-35(29)45-40(30)33/h2-19,21-22,24H,20,23H2,1H3/b39-25-,42-34+,43-41-.

What are the key properties of (7E)-2-dibenzofuran-1-yl-8-dibenzofuran-4-yl-7-methyl-4-naphthalen-2-yl-5,6-dihydro-1,3-diazocine?

(7E)-2-dibenzofuran-1-yl-8-dibenzofuran-4-yl-7-methyl-4-naphthalen-2-yl-5,6-dihydro-1,3-diazocine has a molecular weight of 580.69 g/mol, XLogP of 11.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (7E)-2-dibenzofuran-1-yl-8-dibenzofuran-4-yl-7-methyl-4-naphthalen-2-yl-5,6-dihydro-1,3-diazocine is sourced from PubChem (CID 170296058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).