5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;bis(5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine)

C212H124N20O12 — CID 165088387

About 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;bis(5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine)

5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;bis(5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine) (PubChem CID 165088387) has the molecular formula C212H124N20O12 and a molecular weight of 3143.45 g/mol. Its IUPAC name is 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;bis(5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine).

Molecular Properties

• Compound Name: 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;bis(5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine)
• PubChem CID: 165088387
• Molecular Formula: C212H124N20O12
• Molecular Weight: 3143.45 g/mol
• Exact Mass: 3140.97
• IUPAC Name: 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;bis(5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine)
• SMILES: c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cc4oc5cc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)nnc5c4cn3)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cc4oc5nc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)cnc5c4cn3)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cc4oc5nc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)ncc5c4cn3)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cc4oc5nc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)ncc5c4cn3)ccc2c1
• InChI: InChI=1S/4C53H31N5O3/c1-3-11-34-25-36(19-17-32(34)9-1)57(38-21-23-42-40-13-5-7-15-45(40)59-47(42)27-38)51-29-49-44(31-54-51)53-50(61-49)30-52(55-56-53)58(37-20-18-33-10-2-4-12-35(33)26-37)39-22-24-43-41-14-6-8-16-46(41)60-48(43)28-39;2*1-3-11-34-25-36(19-17-32(34)9-1)57(38-21-23-42-40-13-5-7-15-46(40)59-48(42)27-38)51-29-50-44(30-54-51)45-31-55-53(56-52(45)61-50)58(37-20-18-33-10-2-4-12-35(33)26-37)39-22-24-43-41-14-6-8-16-47(41)60-49(43)28-39;1-3-11-34-25-36(19-17-32(34)9-1)57(38-21-23-42-40-13-5-7-15-45(40)59-47(42)27-38)50-29-49-44(30-54-50)52-53(61-49)56-51(31-55-52)58(37-20-18-33-10-2-4-12-35(33)26-37)39-22-24-43-41-14-6-8-16-46(41)60-48(43)28-39/h4*1-31H
• InChIKey: WHAQGFVBMDIWGQ-UHFFFAOYSA-N
• XLogP: 59.26
• TPSA: 338.28 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3143.45
LogP ≤ 5	59.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;bis(5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine)?

The IUPAC name of 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;bis(5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine) (CID 165088387) is 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;bis(5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine).

What is the SMILES notation for 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;bis(5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine)?

The canonical SMILES for 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;bis(5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine) is c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cc4oc5cc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)nnc5c4cn3)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cc4oc5nc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)cnc5c4cn3)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cc4oc5nc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)ncc5c4cn3)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cc4oc5nc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)ncc5c4cn3)ccc2c1.

What is the InChIKey of 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;bis(5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine)?

The InChIKey is WHAQGFVBMDIWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C53H31N5O3/c1-3-11-34-25-36(19-17-32(34)9-1)57(38-21-23-42-40-13-5-7-15-45(40)59-47(42)27-38)51-29-49-44(31-54-51)53-50(61-49)30-52(55-56-53)58(37-20-18-33-10-2-4-12-35(33)26-37)39-22-24-43-41-14-6-8-16-46(41)60-48(43)28-39;2*1-3-11-34-25-36(19-17-32(34)9-1)57(38-21-23-42-40-13-5-7-15-46(40)59-48(42)27-38)51-29-50-44(30-54-51)45-31-55-53(56-52(45)61-50)58(37-20-18-33-10-2-4-12-35(33)26-37)39-22-24-43-41-14-6-8-16-47(41)60-49(43)28-39;1-3-11-34-25-36(19-17-32(34)9-1)57(38-21-23-42-40-13-5-7-15-45(40)59-47(42)27-38)50-29-49-44(30-54-50)52-53(61-49)56-51(31-55-52)58(37-20-18-33-10-2-4-12-35(33)26-37)39-22-24-43-41-14-6-8-16-46(41)60-48(43)28-39/h4*1-31H.

What are the key properties of 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;bis(5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine)?

5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;bis(5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine) has a molecular weight of 3143.45 g/mol, XLogP of 59.26, 24 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;bis(5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine) is sourced from PubChem (CID 165088387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).