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

C240H136N24O8S4 — CID 164951784

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

5-N,11-N-di(anthracen-2-yl)-5-N,11-N-di(dibenzofuran-3-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(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-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(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,4,6,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-di(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,4,6,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine (PubChem CID 164951784) has the molecular formula C240H136N24O8S4 and a molecular weight of 3612.16 g/mol. Its IUPAC name is 5-N,11-N-di(anthracen-2-yl)-5-N,11-N-di(dibenzofuran-3-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(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-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(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,4,6,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-di(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,4,6,13-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(anthracen-2-yl)-5-N,11-N-di(dibenzofuran-3-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(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-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(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,4,6,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-di(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,4,6,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine
• PubChem CID: 164951784
• Molecular Formula: C240H136N24O8S4
• Molecular Weight: 3612.16 g/mol
• Exact Mass: 3608.99
• IUPAC Name: 5-N,11-N-di(anthracen-2-yl)-5-N,11-N-di(dibenzofuran-3-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(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-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(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,4,6,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-di(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,4,6,13-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)c3cc4sc5nc(N(c6ccc7c(c6)oc6ccccc67)c6c7ccccc7cc7ccccc67)nnc5c4cn3)c3ccccc3cc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(n3)sc3nc(N(c5ccc6c(c5)oc5ccccc56)c5c6ccccc6cc6ccccc56)nnc34)c3ccccc3cc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3cnc4c(c3)sc3nc(N(c5ccc6c(c5)oc5ccccc56)c5c6ccccc6cc6ccccc56)nnc34)c3ccccc3cc2c1.c1ccc2cc3cc(N(c4ccc5c(c4)oc4ccccc45)c4cc5sc6cc(N(c7ccc8cc9ccccc9cc8c7)c7ccc8c(c7)oc7ccccc78)nnc6c5nn4)ccc3cc2c1
• InChI: InChI=1S/4C60H34N6O2S/c1-5-17-42-35(13-1)29-36-14-2-6-18-43(36)57(42)65(39-25-27-48-46-21-9-11-23-50(46)67-52(48)31-39)41-33-54-55(61-34-41)56-59(69-54)62-60(64-63-56)66(40-26-28-49-47-22-10-12-24-51(47)68-53(49)32-40)58-44-19-7-3-15-37(44)30-38-16-4-8-20-45(38)58;1-5-17-41-35(13-1)29-36-14-2-6-18-42(36)57(41)65(39-25-27-47-45-21-9-11-23-50(45)67-52(47)31-39)55-33-54-49(34-61-55)56-59(69-54)62-60(64-63-56)66(40-26-28-48-46-22-10-12-24-51(46)68-53(48)32-40)58-43-19-7-3-15-37(43)30-38-16-4-8-20-44(38)58;1-5-17-41-35(13-1)31-36-14-2-6-18-42(36)56(41)65(39-25-27-47-45-21-9-11-23-50(45)67-52(47)33-39)54-30-29-49-55-59(69-58(49)61-54)62-60(64-63-55)66(40-26-28-48-46-22-10-12-24-51(46)68-53(48)34-40)57-43-19-7-3-15-37(43)32-38-16-4-8-20-44(38)57;1-3-11-37-27-41-29-43(19-17-39(41)25-35(37)9-1)65(45-21-23-49-47-13-5-7-15-51(47)67-53(49)31-45)57-33-55-59(63-61-57)60-56(69-55)34-58(62-64-60)66(46-22-24-50-48-14-6-8-16-52(48)68-54(50)32-46)44-20-18-40-26-36-10-2-4-12-38(36)28-42(40)30-44/h4*1-34H
• InChIKey: APZNVQNHMKVJIV-UHFFFAOYSA-N
• XLogP: 67.94
• TPSA: 337.28 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 24
• Heavy Atoms: 276
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3612.16
LogP ≤ 5	67.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-N,11-N-di(anthracen-2-yl)-5-N,11-N-di(dibenzofuran-3-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(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-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(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,4,6,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-di(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,4,6,13-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(anthracen-2-yl)-5-N,11-N-di(dibenzofuran-3-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(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-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(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,4,6,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-di(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,4,6,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine (CID 164951784) is 5-N,11-N-di(anthracen-2-yl)-5-N,11-N-di(dibenzofuran-3-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(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-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(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,4,6,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-di(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,4,6,13-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(anthracen-2-yl)-5-N,11-N-di(dibenzofuran-3-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(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-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(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,4,6,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-di(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,4,6,13-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(anthracen-2-yl)-5-N,11-N-di(dibenzofuran-3-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(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-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(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,4,6,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-di(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,4,6,13-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)c3cc4sc5nc(N(c6ccc7c(c6)oc6ccccc67)c6c7ccccc7cc7ccccc67)nnc5c4cn3)c3ccccc3cc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(n3)sc3nc(N(c5ccc6c(c5)oc5ccccc56)c5c6ccccc6cc6ccccc56)nnc34)c3ccccc3cc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3cnc4c(c3)sc3nc(N(c5ccc6c(c5)oc5ccccc56)c5c6ccccc6cc6ccccc56)nnc34)c3ccccc3cc2c1.c1ccc2cc3cc(N(c4ccc5c(c4)oc4ccccc45)c4cc5sc6cc(N(c7ccc8cc9ccccc9cc8c7)c7ccc8c(c7)oc7ccccc78)nnc6c5nn4)ccc3cc2c1.

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

The InChIKey is APZNVQNHMKVJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C60H34N6O2S/c1-5-17-42-35(13-1)29-36-14-2-6-18-43(36)57(42)65(39-25-27-48-46-21-9-11-23-50(46)67-52(48)31-39)41-33-54-55(61-34-41)56-59(69-54)62-60(64-63-56)66(40-26-28-49-47-22-10-12-24-51(47)68-53(49)32-40)58-44-19-7-3-15-37(44)30-38-16-4-8-20-45(38)58;1-5-17-41-35(13-1)29-36-14-2-6-18-42(36)57(41)65(39-25-27-47-45-21-9-11-23-50(45)67-52(47)31-39)55-33-54-49(34-61-55)56-59(69-54)62-60(64-63-56)66(40-26-28-48-46-22-10-12-24-51(46)68-53(48)32-40)58-43-19-7-3-15-37(43)30-38-16-4-8-20-44(38)58;1-5-17-41-35(13-1)31-36-14-2-6-18-42(36)56(41)65(39-25-27-47-45-21-9-11-23-50(45)67-52(47)33-39)54-30-29-49-55-59(69-58(49)61-54)62-60(64-63-55)66(40-26-28-48-46-22-10-12-24-51(46)68-53(48)34-40)57-43-19-7-3-15-37(43)32-38-16-4-8-20-44(38)57;1-3-11-37-27-41-29-43(19-17-39(41)25-35(37)9-1)65(45-21-23-49-47-13-5-7-15-51(47)67-53(49)31-45)57-33-55-59(63-61-57)60-56(69-55)34-58(62-64-60)66(46-22-24-50-48-14-6-8-16-52(48)68-54(50)32-46)44-20-18-40-26-36-10-2-4-12-38(36)28-42(40)30-44/h4*1-34H.

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

5-N,11-N-di(anthracen-2-yl)-5-N,11-N-di(dibenzofuran-3-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(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-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(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,4,6,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-di(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,4,6,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine has a molecular weight of 3612.16 g/mol, XLogP of 67.94, 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(anthracen-2-yl)-5-N,11-N-di(dibenzofuran-3-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(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-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(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,4,6,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-di(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,4,6,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine is sourced from PubChem (CID 164951784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).