5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-3,4,10,13-tetrazatricyclo[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-1-yl-8-thia-3,4,12,13-tetrazatricyclo[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-1-yl-8-thia-3,6,10,13-tetrazatricyclo[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-thia-3,4,6,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine

C208H120N24O8S4 — CID 164967108

About 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-3,4,10,13-tetrazatricyclo[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-1-yl-8-thia-3,4,12,13-tetrazatricyclo[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-1-yl-8-thia-3,6,10,13-tetrazatricyclo[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-thia-3,4,6,10-tetrazatricyclo[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-dinaphthalen-1-yl-8-thia-3,4,10,13-tetrazatricyclo[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-1-yl-8-thia-3,4,12,13-tetrazatricyclo[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-1-yl-8-thia-3,6,10,13-tetrazatricyclo[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-thia-3,4,6,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine (PubChem CID 164967108) has the molecular formula C208H120N24O8S4 and a molecular weight of 3211.68 g/mol. Its IUPAC name is 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-3,4,10,13-tetrazatricyclo[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-1-yl-8-thia-3,4,12,13-tetrazatricyclo[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-1-yl-8-thia-3,6,10,13-tetrazatricyclo[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-thia-3,4,6,10-tetrazatricyclo[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-dinaphthalen-1-yl-8-thia-3,4,10,13-tetrazatricyclo[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-1-yl-8-thia-3,4,12,13-tetrazatricyclo[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-1-yl-8-thia-3,6,10,13-tetrazatricyclo[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-thia-3,4,6,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine
• PubChem CID: 164967108
• Molecular Formula: C208H120N24O8S4
• Molecular Weight: 3211.68 g/mol
• Exact Mass: 3208.86
• IUPAC Name: 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-3,4,10,13-tetrazatricyclo[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-1-yl-8-thia-3,4,12,13-tetrazatricyclo[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-1-yl-8-thia-3,6,10,13-tetrazatricyclo[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-thia-3,4,6,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine
• SMILES: c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3cc4sc5cc(N(c6ccc7c(c6)oc6ccccc67)c6cccc7ccccc67)nnc5c4nn3)cccc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3cc4sc5nc(N(c6ccc7c(c6)oc6ccccc67)c6cccc7ccccc67)cnc5c4nn3)cccc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3cnc4c(n3)sc3nc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)cnc34)cccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(n3)sc3nc(N(c5ccc6ccccc6c5)c5ccc6c(c5)oc5ccccc56)nnc34)ccc2c1
• InChI: InChI=1S/4C52H30N6O2S/c1-3-15-35-31(11-1)13-9-19-41(35)57(33-23-25-39-37-17-5-7-21-43(37)59-45(39)27-33)47-29-53-49-50-52(61-51(49)55-47)56-48(30-54-50)58(42-20-10-14-32-12-2-4-16-36(32)42)34-24-26-40-38-18-6-8-22-44(38)60-46(40)28-34;1-3-15-35-31(11-1)13-9-19-41(35)57(33-23-25-39-37-17-5-7-21-43(37)59-45(39)27-33)49-29-47-51(55-53-49)52-48(61-47)30-50(54-56-52)58(42-20-10-14-32-12-2-4-16-36(32)42)34-24-26-40-38-18-6-8-22-44(38)60-46(40)28-34;1-3-15-35-31(11-1)13-9-19-41(35)57(33-23-25-39-37-17-5-7-21-43(37)59-45(39)27-33)48-29-47-50(56-55-48)51-52(61-47)54-49(30-53-51)58(42-20-10-14-32-12-2-4-16-36(32)42)34-24-26-40-38-18-6-8-22-44(38)60-46(40)28-34;1-3-11-33-27-35(19-17-31(33)9-1)57(37-21-23-41-39-13-5-7-15-44(39)59-46(41)29-37)48-26-25-43-49-51(61-50(43)53-48)54-52(56-55-49)58(36-20-18-32-10-2-4-12-34(32)28-36)38-22-24-42-40-14-6-8-16-45(40)60-47(42)30-38/h4*1-30H
• InChIKey: CPYTXTLBVDRAPG-UHFFFAOYSA-N
• XLogP: 58.72
• TPSA: 337.28 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 24
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3211.68
LogP ≤ 5	58.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-3,4,10,13-tetrazatricyclo[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-1-yl-8-thia-3,4,12,13-tetrazatricyclo[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-1-yl-8-thia-3,6,10,13-tetrazatricyclo[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-thia-3,4,6,10-tetrazatricyclo[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-dinaphthalen-1-yl-8-thia-3,4,10,13-tetrazatricyclo[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-1-yl-8-thia-3,4,12,13-tetrazatricyclo[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-1-yl-8-thia-3,6,10,13-tetrazatricyclo[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-thia-3,4,6,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine (CID 164967108) is 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-3,4,10,13-tetrazatricyclo[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-1-yl-8-thia-3,4,12,13-tetrazatricyclo[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-1-yl-8-thia-3,6,10,13-tetrazatricyclo[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-thia-3,4,6,10-tetrazatricyclo[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-dinaphthalen-1-yl-8-thia-3,4,10,13-tetrazatricyclo[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-1-yl-8-thia-3,4,12,13-tetrazatricyclo[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-1-yl-8-thia-3,6,10,13-tetrazatricyclo[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-thia-3,4,6,10-tetrazatricyclo[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-dinaphthalen-1-yl-8-thia-3,4,10,13-tetrazatricyclo[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-1-yl-8-thia-3,4,12,13-tetrazatricyclo[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-1-yl-8-thia-3,6,10,13-tetrazatricyclo[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-thia-3,4,6,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine is c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3cc4sc5cc(N(c6ccc7c(c6)oc6ccccc67)c6cccc7ccccc67)nnc5c4nn3)cccc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3cc4sc5nc(N(c6ccc7c(c6)oc6ccccc67)c6cccc7ccccc67)cnc5c4nn3)cccc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3cnc4c(n3)sc3nc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)cnc34)cccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(n3)sc3nc(N(c5ccc6ccccc6c5)c5ccc6c(c5)oc5ccccc56)nnc34)ccc2c1.

What is the InChIKey of 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-3,4,10,13-tetrazatricyclo[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-1-yl-8-thia-3,4,12,13-tetrazatricyclo[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-1-yl-8-thia-3,6,10,13-tetrazatricyclo[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-thia-3,4,6,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine?

The InChIKey is CPYTXTLBVDRAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C52H30N6O2S/c1-3-15-35-31(11-1)13-9-19-41(35)57(33-23-25-39-37-17-5-7-21-43(37)59-45(39)27-33)47-29-53-49-50-52(61-51(49)55-47)56-48(30-54-50)58(42-20-10-14-32-12-2-4-16-36(32)42)34-24-26-40-38-18-6-8-22-44(38)60-46(40)28-34;1-3-15-35-31(11-1)13-9-19-41(35)57(33-23-25-39-37-17-5-7-21-43(37)59-45(39)27-33)49-29-47-51(55-53-49)52-48(61-47)30-50(54-56-52)58(42-20-10-14-32-12-2-4-16-36(32)42)34-24-26-40-38-18-6-8-22-44(38)60-46(40)28-34;1-3-15-35-31(11-1)13-9-19-41(35)57(33-23-25-39-37-17-5-7-21-43(37)59-45(39)27-33)48-29-47-50(56-55-48)51-52(61-47)54-49(30-53-51)58(42-20-10-14-32-12-2-4-16-36(32)42)34-24-26-40-38-18-6-8-22-44(38)60-46(40)28-34;1-3-11-33-27-35(19-17-31(33)9-1)57(37-21-23-41-39-13-5-7-15-44(39)59-46(41)29-37)48-26-25-43-49-51(61-50(43)53-48)54-52(56-55-49)58(36-20-18-32-10-2-4-12-34(32)28-36)38-22-24-42-40-14-6-8-16-45(40)60-47(42)30-38/h4*1-30H.

What are the key properties of 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-yl-8-thia-3,4,10,13-tetrazatricyclo[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-1-yl-8-thia-3,4,12,13-tetrazatricyclo[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-1-yl-8-thia-3,6,10,13-tetrazatricyclo[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-thia-3,4,6,10-tetrazatricyclo[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-dinaphthalen-1-yl-8-thia-3,4,10,13-tetrazatricyclo[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-1-yl-8-thia-3,4,12,13-tetrazatricyclo[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-1-yl-8-thia-3,6,10,13-tetrazatricyclo[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-thia-3,4,6,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine has a molecular weight of 3211.68 g/mol, XLogP of 58.72, 24 rotatable bonds, 0 hydrogen bond donors, and 36 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-1-yl-8-thia-3,4,10,13-tetrazatricyclo[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-1-yl-8-thia-3,4,12,13-tetrazatricyclo[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-1-yl-8-thia-3,6,10,13-tetrazatricyclo[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-thia-3,4,6,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine is sourced from PubChem (CID 164967108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).