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

C294H182N34O8S6 — CID 165078863

IUPAC5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-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-2-yl)-5-N,11-N-diphenyl-8-thia-3,4,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
SMILESc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3sc4nc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cnc4c3cn2)cc1.c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3sc4nc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ncc4c3cn2)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3sc4cc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)nnc4c3cn2)cc1.c1ccc(N(c2cnc3c(c2)sc2cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)nnc23)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2cnc3c(c2)sc2nc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cnc23)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2cnc3c(c2)sc2nc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)ncc23)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/2C57H37N7S.4C45H27N5O2S/c1-5-17-38(18-6-1)61(42-29-31-52-46(33-42)44-25-13-15-27-50(44)63(52)40-21-9-3-10-22-40)55-35-54-48(36-58-55)49-37-59-57(60-56(49)65-54)62(39-19-7-2-8-20-39)43-30-32-53-47(34-43)45-26-14-16-28-51(45)64(53)41-23-11-4-12-24-41;1-5-17-38(18-6-1)61(42-29-31-51-46(33-42)44-25-13-15-27-49(44)63(51)40-21-9-3-10-22-40)54-35-53-48(36-58-54)56-57(65-53)60-55(37-59-56)62(39-19-7-2-8-20-39)43-30-32-52-47(34-43)45-26-14-16-28-50(45)64(52)41-23-11-4-12-24-41;1-3-11-28(12-4-1)49(30-19-21-39-35(23-30)33-15-7-9-17-37(33)51-39)32-25-41-44(46-27-32)45-42(53-41)26-43(47-48-45)50(29-13-5-2-6-14-29)31-20-22-40-36(24-31)34-16-8-10-18-38(34)52-40;1-3-11-28(12-4-1)49(30-19-21-40-35(23-30)33-15-7-9-17-38(33)51-40)32-25-42-43(46-26-32)37-27-47-45(48-44(37)53-42)50(29-13-5-2-6-14-29)31-20-22-41-36(24-31)34-16-8-10-18-39(34)52-41;1-3-11-28(12-4-1)49(30-19-21-39-35(23-30)33-15-7-9-17-37(33)51-39)32-25-41-43(46-26-32)44-45(53-41)48-42(27-47-44)50(29-13-5-2-6-14-29)31-20-22-40-36(24-31)34-16-8-10-18-38(34)52-40;1-3-11-28(12-4-1)49(30-19-21-39-34(23-30)32-15-7-9-17-37(32)51-39)43-25-41-36(27-46-43)45-42(53-41)26-44(47-48-45)50(29-13-5-2-6-14-29)31-20-22-40-35(24-31)33-16-8-10-18-38(33)52-40/h2*1-37H;4*1-27H
InChIKeyUTYBSGXSTAUWEX-UHFFFAOYSA-N
MW4511.32 g/mol
LogP82.66
Rot. Bonds40

About 5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-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-2-yl)-5-N,11-N-diphenyl-8-thia-3,4,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-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-2-yl)-5-N,11-N-diphenyl-8-thia-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-2-yl)-5-N,11-N-diphenyl-8-thia-3,4,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine (PubChem CID 165078863) has the molecular formula C294H182N34O8S6 and a molecular weight of 4511.32 g/mol. Its IUPAC name is 5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-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-2-yl)-5-N,11-N-diphenyl-8-thia-3,4,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine.

Molecular Properties

Compound Name5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-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-2-yl)-5-N,11-N-diphenyl-8-thia-3,4,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
PubChem CID165078863
Molecular FormulaC294H182N34O8S6
Molecular Weight4511.32 g/mol
Exact Mass4507.32
IUPAC Name5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-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-2-yl)-5-N,11-N-diphenyl-8-thia-3,4,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
SMILESc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3sc4nc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cnc4c3cn2)cc1.c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3sc4nc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ncc4c3cn2)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3sc4cc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)nnc4c3cn2)cc1.c1ccc(N(c2cnc3c(c2)sc2cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)nnc23)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2cnc3c(c2)sc2nc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cnc23)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2cnc3c(c2)sc2nc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)ncc23)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/2C57H37N7S.4C45H27N5O2S/c1-5-17-38(18-6-1)61(42-29-31-52-46(33-42)44-25-13-15-27-50(44)63(52)40-21-9-3-10-22-40)55-35-54-48(36-58-55)49-37-59-57(60-56(49)65-54)62(39-19-7-2-8-20-39)43-30-32-53-47(34-43)45-26-14-16-28-51(45)64(53)41-23-11-4-12-24-41;1-5-17-38(18-6-1)61(42-29-31-51-46(33-42)44-25-13-15-27-49(44)63(51)40-21-9-3-10-22-40)54-35-53-48(36-58-54)56-57(65-53)60-55(37-59-56)62(39-19-7-2-8-20-39)43-30-32-52-47(34-43)45-26-14-16-28-50(45)64(52)41-23-11-4-12-24-41;1-3-11-28(12-4-1)49(30-19-21-39-35(23-30)33-15-7-9-17-37(33)51-39)32-25-41-44(46-27-32)45-42(53-41)26-43(47-48-45)50(29-13-5-2-6-14-29)31-20-22-40-36(24-31)34-16-8-10-18-38(34)52-40;1-3-11-28(12-4-1)49(30-19-21-40-35(23-30)33-15-7-9-17-38(33)51-40)32-25-42-43(46-26-32)37-27-47-45(48-44(37)53-42)50(29-13-5-2-6-14-29)31-20-22-41-36(24-31)34-16-8-10-18-39(34)52-41;1-3-11-28(12-4-1)49(30-19-21-39-35(23-30)33-15-7-9-17-37(33)51-39)32-25-41-43(46-26-32)44-45(53-41)48-42(27-47-44)50(29-13-5-2-6-14-29)31-20-22-40-36(24-31)34-16-8-10-18-38(34)52-40;1-3-11-28(12-4-1)49(30-19-21-39-34(23-30)32-15-7-9-17-37(32)51-39)43-25-41-36(27-46-43)45-42(53-41)26-44(47-48-45)50(29-13-5-2-6-14-29)31-20-22-40-35(24-31)33-16-8-10-18-38(33)52-40/h2*1-37H;4*1-27H
InChIKeyUTYBSGXSTAUWEX-UHFFFAOYSA-N
XLogP82.66
TPSA395.74 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds40
Heavy Atoms342
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004511.32
LogP ≤ 582.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze 5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-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-2-yl)-5-N,11-N-diphenyl-8-thia-3,4,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine with MolForge

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Related Compounds

5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-thia-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-thia-3,6,12-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-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-thia-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine
CID 165002327
5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-3,4,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
CID 164813163
5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,4,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
CID 164813050
3-N,7-N-diphenyl-3-N,7-N-bis(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]pyridine-3,7-diamine
CID 164813279
5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-diphenyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine
CID 164813054
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
CID 170041506
N,9-bis(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-dibenzofuran-2-yl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine
CID 159873005
3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazine-3,7-diamine
CID 164813167
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
N-phenyl-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]dibenzofuran-3-amine
CID 129180955
N-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine
CID 158764954

Frequently Asked Questions

What is the IUPAC name of 5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-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-2-yl)-5-N,11-N-diphenyl-8-thia-3,4,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-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-2-yl)-5-N,11-N-diphenyl-8-thia-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-2-yl)-5-N,11-N-diphenyl-8-thia-3,4,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine (CID 165078863) is 5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-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-2-yl)-5-N,11-N-diphenyl-8-thia-3,4,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-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-2-yl)-5-N,11-N-diphenyl-8-thia-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-2-yl)-5-N,11-N-diphenyl-8-thia-3,4,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-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-2-yl)-5-N,11-N-diphenyl-8-thia-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-2-yl)-5-N,11-N-diphenyl-8-thia-3,4,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine is c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3sc4nc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cnc4c3cn2)cc1.c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3sc4nc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ncc4c3cn2)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3sc4cc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)nnc4c3cn2)cc1.c1ccc(N(c2cnc3c(c2)sc2cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)nnc23)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2cnc3c(c2)sc2nc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cnc23)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2cnc3c(c2)sc2nc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)ncc23)c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of 5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-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-2-yl)-5-N,11-N-diphenyl-8-thia-3,4,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine?
The InChIKey is UTYBSGXSTAUWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H37N7S.4C45H27N5O2S/c1-5-17-38(18-6-1)61(42-29-31-52-46(33-42)44-25-13-15-27-50(44)63(52)40-21-9-3-10-22-40)55-35-54-48(36-58-55)49-37-59-57(60-56(49)65-54)62(39-19-7-2-8-20-39)43-30-32-53-47(34-43)45-26-14-16-28-51(45)64(53)41-23-11-4-12-24-41;1-5-17-38(18-6-1)61(42-29-31-51-46(33-42)44-25-13-15-27-49(44)63(51)40-21-9-3-10-22-40)54-35-53-48(36-58-54)56-57(65-53)60-55(37-59-56)62(39-19-7-2-8-20-39)43-30-32-52-47(34-43)45-26-14-16-28-50(45)64(52)41-23-11-4-12-24-41;1-3-11-28(12-4-1)49(30-19-21-39-35(23-30)33-15-7-9-17-37(33)51-39)32-25-41-44(46-27-32)45-42(53-41)26-43(47-48-45)50(29-13-5-2-6-14-29)31-20-22-40-36(24-31)34-16-8-10-18-38(34)52-40;1-3-11-28(12-4-1)49(30-19-21-40-35(23-30)33-15-7-9-17-38(33)51-40)32-25-42-43(46-26-32)37-27-47-45(48-44(37)53-42)50(29-13-5-2-6-14-29)31-20-22-41-36(24-31)34-16-8-10-18-39(34)52-41;1-3-11-28(12-4-1)49(30-19-21-39-35(23-30)33-15-7-9-17-37(33)51-39)32-25-41-43(46-26-32)44-45(53-41)48-42(27-47-44)50(29-13-5-2-6-14-29)31-20-22-40-36(24-31)34-16-8-10-18-38(34)52-40;1-3-11-28(12-4-1)49(30-19-21-39-34(23-30)32-15-7-9-17-37(32)51-39)43-25-41-36(27-46-43)45-42(53-41)26-44(47-48-45)50(29-13-5-2-6-14-29)31-20-22-40-35(24-31)33-16-8-10-18-38(33)52-40/h2*1-37H;4*1-27H.
What are the key properties of 5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-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-2-yl)-5-N,11-N-diphenyl-8-thia-3,4,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-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-2-yl)-5-N,11-N-diphenyl-8-thia-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-2-yl)-5-N,11-N-diphenyl-8-thia-3,4,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-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 4511.32 g/mol, XLogP of 82.66, 40 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-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-2-yl)-5-N,11-N-diphenyl-8-thia-3,4,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-2-yl)-5-N,11-N-diphenyl-8-thia-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(9-phenylcarbazol-3-yl)-8-thia-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 165078863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).