5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-bis(furan-2-yl)-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine

C42H24N4O5 — CID 164813353

About 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-bis(furan-2-yl)-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine

5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-bis(furan-2-yl)-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine (PubChem CID 164813353) has the molecular formula C42H24N4O5 and a molecular weight of 664.68 g/mol. Its IUPAC name is 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-bis(furan-2-yl)-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine.

Molecular Properties

• Compound Name: 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-bis(furan-2-yl)-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine
• PubChem CID: 164813353
• Molecular Formula: C42H24N4O5
• Molecular Weight: 664.68 g/mol
• Exact Mass: 664.17
• IUPAC Name: 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-bis(furan-2-yl)-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine
• SMILES: c1coc(N(c2ccc3c(c2)oc2ccccc23)c2cnc3c(c2)oc2nc(N(c4ccc5c(c4)oc4ccccc45)c4ccco4)ccc23)c1
• InChI: InChI=1S/C42H24N4O5/c1-3-9-33-28(7-1)30-15-13-25(21-35(30)49-33)45(39-11-5-19-47-39)27-23-37-41(43-24-27)32-17-18-38(44-42(32)51-37)46(40-12-6-20-48-40)26-14-16-31-29-8-2-4-10-34(29)50-36(31)22-26/h1-24H
• InChIKey: NHIHJDFCGNZPHL-UHFFFAOYSA-N
• XLogP: 12.30
• TPSA: 97.96 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.68
LogP ≤ 5	12.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-bis(furan-2-yl)-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine?

The IUPAC name of 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-bis(furan-2-yl)-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine (CID 164813353) is 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-bis(furan-2-yl)-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine.

What is the SMILES notation for 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-bis(furan-2-yl)-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine?

The canonical SMILES for 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-bis(furan-2-yl)-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine is c1coc(N(c2ccc3c(c2)oc2ccccc23)c2cnc3c(c2)oc2nc(N(c4ccc5c(c4)oc4ccccc45)c4ccco4)ccc23)c1.

What is the InChIKey of 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-bis(furan-2-yl)-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine?

The InChIKey is NHIHJDFCGNZPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4O5/c1-3-9-33-28(7-1)30-15-13-25(21-35(30)49-33)45(39-11-5-19-47-39)27-23-37-41(43-24-27)32-17-18-38(44-42(32)51-37)46(40-12-6-20-48-40)26-14-16-31-29-8-2-4-10-34(29)50-36(31)22-26/h1-24H.

What are the key properties of 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-bis(furan-2-yl)-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine?

5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-bis(furan-2-yl)-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine has a molecular weight of 664.68 g/mol, XLogP of 12.30, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-bis(furan-2-yl)-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine is sourced from PubChem (CID 164813353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).