3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazine-3,7-diamine;3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[3,2-c]pyridazine-3,7-diamine;2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-d]pyrimidine-2,7-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine

C216H128N16O8S4 — CID 164947309

About 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazine-3,7-diamine;3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[3,2-c]pyridazine-3,7-diamine;2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-d]pyrimidine-2,7-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine

3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazine-3,7-diamine;3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[3,2-c]pyridazine-3,7-diamine;2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-d]pyrimidine-2,7-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine (PubChem CID 164947309) has the molecular formula C216H128N16O8S4 and a molecular weight of 3203.77 g/mol. Its IUPAC name is 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazine-3,7-diamine;3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[3,2-c]pyridazine-3,7-diamine;2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-d]pyrimidine-2,7-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine.

Molecular Properties

• Compound Name: 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazine-3,7-diamine;3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[3,2-c]pyridazine-3,7-diamine;2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-d]pyrimidine-2,7-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine
• PubChem CID: 164947309
• Molecular Formula: C216H128N16O8S4
• Molecular Weight: 3203.77 g/mol
• Exact Mass: 3200.90
• IUPAC Name: 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazine-3,7-diamine;3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[3,2-c]pyridazine-3,7-diamine;2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-d]pyrimidine-2,7-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine
• SMILES: c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3cc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)nnc34)cccc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3nc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)cnc34)cccc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3nc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)ncc34)cccc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(n3)sc3nc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)ccc34)cccc2c1
• InChI: InChI=1S/4C54H32N4O2S/c1-3-15-38-33(11-1)13-9-19-46(38)57(35-23-26-42-40-17-5-7-21-48(40)59-50(42)29-35)37-25-28-44-45-32-55-54(56-53(45)61-52(44)31-37)58(47-20-10-14-34-12-2-4-16-39(34)47)36-24-27-43-41-18-6-8-22-49(41)60-51(43)30-36;1-3-15-38-33(11-1)13-9-19-45(38)57(35-23-26-42-40-17-5-7-21-47(40)59-49(42)29-35)37-25-28-44-51(31-37)61-54-53(44)55-32-52(56-54)58(46-20-10-14-34-12-2-4-16-39(34)46)36-24-27-43-41-18-6-8-22-48(41)60-50(43)30-36;1-3-15-38-33(11-1)13-9-19-45(38)57(35-23-26-42-40-17-5-7-21-47(40)59-49(42)29-35)37-25-28-44-51(31-37)61-52-32-53(55-56-54(44)52)58(46-20-10-14-34-12-2-4-16-39(34)46)36-24-27-43-41-18-6-8-22-48(41)60-50(43)30-36;1-3-15-37-33(11-1)13-9-19-45(37)57(35-23-25-41-39-17-5-7-21-47(39)59-49(41)31-35)51-29-27-43-44-28-30-52(56-54(44)61-53(43)55-51)58(46-20-10-14-34-12-2-4-16-38(34)46)36-24-26-42-40-18-6-8-22-48(40)60-50(42)32-36/h4*1-32H
• InChIKey: ABFUAJPHYUHKKB-UHFFFAOYSA-N
• XLogP: 63.56
• TPSA: 234.16 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3203.77
LogP ≤ 5	63.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazine-3,7-diamine;3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[3,2-c]pyridazine-3,7-diamine;2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-d]pyrimidine-2,7-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine?

The IUPAC name of 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazine-3,7-diamine;3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[3,2-c]pyridazine-3,7-diamine;2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-d]pyrimidine-2,7-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine (CID 164947309) is 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazine-3,7-diamine;3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[3,2-c]pyridazine-3,7-diamine;2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-d]pyrimidine-2,7-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-6,10-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 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazine-3,7-diamine;3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[3,2-c]pyridazine-3,7-diamine;2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-d]pyrimidine-2,7-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine?

The canonical SMILES for 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazine-3,7-diamine;3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[3,2-c]pyridazine-3,7-diamine;2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-d]pyrimidine-2,7-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine is c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3cc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)nnc34)cccc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3nc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)cnc34)cccc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3nc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)ncc34)cccc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(n3)sc3nc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)ccc34)cccc2c1.

What is the InChIKey of 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazine-3,7-diamine;3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[3,2-c]pyridazine-3,7-diamine;2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-d]pyrimidine-2,7-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine?

The InChIKey is ABFUAJPHYUHKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C54H32N4O2S/c1-3-15-38-33(11-1)13-9-19-46(38)57(35-23-26-42-40-17-5-7-21-48(40)59-50(42)29-35)37-25-28-44-45-32-55-54(56-53(45)61-52(44)31-37)58(47-20-10-14-34-12-2-4-16-39(34)47)36-24-27-43-41-18-6-8-22-49(41)60-51(43)30-36;1-3-15-38-33(11-1)13-9-19-45(38)57(35-23-26-42-40-17-5-7-21-47(40)59-49(42)29-35)37-25-28-44-51(31-37)61-54-53(44)55-32-52(56-54)58(46-20-10-14-34-12-2-4-16-39(34)46)36-24-27-43-41-18-6-8-22-48(41)60-50(43)30-36;1-3-15-38-33(11-1)13-9-19-45(38)57(35-23-26-42-40-17-5-7-21-47(40)59-49(42)29-35)37-25-28-44-51(31-37)61-52-32-53(55-56-54(44)52)58(46-20-10-14-34-12-2-4-16-39(34)46)36-24-27-43-41-18-6-8-22-48(41)60-50(43)30-36;1-3-15-37-33(11-1)13-9-19-45(37)57(35-23-25-41-39-17-5-7-21-47(39)59-49(41)31-35)51-29-27-43-44-28-30-52(56-54(44)61-53(43)55-51)58(46-20-10-14-34-12-2-4-16-38(34)46)36-24-26-42-40-18-6-8-22-48(40)60-50(42)32-36/h4*1-32H.

What are the key properties of 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazine-3,7-diamine;3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[3,2-c]pyridazine-3,7-diamine;2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-d]pyrimidine-2,7-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine?

3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazine-3,7-diamine;3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[3,2-c]pyridazine-3,7-diamine;2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-d]pyrimidine-2,7-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine has a molecular weight of 3203.77 g/mol, XLogP of 63.56, 24 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazine-3,7-diamine;3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[3,2-c]pyridazine-3,7-diamine;2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-dinaphthalen-1-yl-[1]benzothiolo[2,3-d]pyrimidine-2,7-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine is sourced from PubChem (CID 164947309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).