14-(3-dibenzofuran-2-ylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene

C42H26N2O — CID 142397112

About 14-(3-dibenzofuran-2-ylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene

14-(3-dibenzofuran-2-ylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene (PubChem CID 142397112) has the molecular formula C42H26N2O and a molecular weight of 574.68 g/mol. Its IUPAC name is 14-(3-dibenzofuran-2-ylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene.

Molecular Properties

• Compound Name: 14-(3-dibenzofuran-2-ylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene
• PubChem CID: 142397112
• Molecular Formula: C42H26N2O
• Molecular Weight: 574.68 g/mol
• Exact Mass: 574.20
• IUPAC Name: 14-(3-dibenzofuran-2-ylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene
• SMILES: c1cc(-c2ccc3oc4ccccc4c3c2)cc(N2c3ccccc3-c3ccccc3-n3c2cc2ccc4ccccc4c23)c1
• InChI: InChI=1S/C42H26N2O/c1-2-13-32-27(10-1)20-21-30-26-41-43(37-17-6-3-14-33(37)34-15-4-7-18-38(34)44(41)42(30)32)31-12-9-11-28(24-31)29-22-23-40-36(25-29)35-16-5-8-19-39(35)45-40/h1-26H
• InChIKey: AJMMNJZWEDSFQW-UHFFFAOYSA-N
• XLogP: 11.80
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.68
LogP ≤ 5	11.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 14-(3-dibenzofuran-2-ylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene?

The IUPAC name of 14-(3-dibenzofuran-2-ylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene (CID 142397112) is 14-(3-dibenzofuran-2-ylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene.

What is the SMILES notation for 14-(3-dibenzofuran-2-ylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene?

The canonical SMILES for 14-(3-dibenzofuran-2-ylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene is c1cc(-c2ccc3oc4ccccc4c3c2)cc(N2c3ccccc3-c3ccccc3-n3c2cc2ccc4ccccc4c23)c1.

What is the InChIKey of 14-(3-dibenzofuran-2-ylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene?

The InChIKey is AJMMNJZWEDSFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O/c1-2-13-32-27(10-1)20-21-30-26-41-43(37-17-6-3-14-33(37)34-15-4-7-18-38(34)44(41)42(30)32)31-12-9-11-28(24-31)29-22-23-40-36(25-29)35-16-5-8-19-39(35)45-40/h1-26H.

What are the key properties of 14-(3-dibenzofuran-2-ylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene?

14-(3-dibenzofuran-2-ylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene has a molecular weight of 574.68 g/mol, XLogP of 11.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(3-dibenzofuran-2-ylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene is sourced from PubChem (CID 142397112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).