18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene

C39H23NO — CID 137294870

About 18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene

18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene (PubChem CID 137294870) has the molecular formula C39H23NO and a molecular weight of 521.62 g/mol. Its IUPAC name is 18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene.

Molecular Properties

• Compound Name: 18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene
• PubChem CID: 137294870
• Molecular Formula: C39H23NO
• Molecular Weight: 521.62 g/mol
• Exact Mass: 521.18
• IUPAC Name: 18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene
• SMILES: c1ccc2c(c1)-c1ccccc1-c1cccc(-c3cccc4c3oc3ccccc34)c1-c1cc3ncccc3cc1-2
• InChI: InChI=1S/C39H23NO/c1-3-13-27-25(11-1)26-12-2-4-14-28(26)34-22-24-10-9-21-40-36(24)23-35(34)38-30(27)16-7-17-31(38)33-19-8-18-32-29-15-5-6-20-37(29)41-39(32)33/h1-23H/b26-25-,30-27-,34-28-,38-35+
• InChIKey: WFKVLEINAVJWMI-SXUDFKPZSA-N
• XLogP: 10.78
• TPSA: 26.03 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.62
LogP ≤ 5	10.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene?

The IUPAC name of 18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene (CID 137294870) is 18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene.

What is the SMILES notation for 18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene?

The canonical SMILES for 18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene is c1ccc2c(c1)-c1ccccc1-c1cccc(-c3cccc4c3oc3ccccc34)c1-c1cc3ncccc3cc1-2.

What is the InChIKey of 18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene?

The InChIKey is WFKVLEINAVJWMI-SXUDFKPZSA-N. The full InChI is InChI=1S/C39H23NO/c1-3-13-27-25(11-1)26-12-2-4-14-28(26)34-22-24-10-9-21-40-36(24)23-35(34)38-30(27)16-7-17-31(38)33-19-8-18-32-29-15-5-6-20-37(29)41-39(32)33/h1-23H/b26-25-,30-27-,34-28-,38-35+.

What are the key properties of 18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene?

18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene has a molecular weight of 521.62 g/mol, XLogP of 10.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene is sourced from PubChem (CID 137294870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).