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

C212H124N20O8S4 — CID 165002327

IUPAC5-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
SMILESc1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cc4sc5cc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)nnc5c4cn3)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cc4sc5nc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)cnc5c4cn3)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cnc4c(c3)sc3nc(N(c5ccc6ccccc6c5)c5ccc6c(c5)oc5ccccc56)cnc34)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cnc4c(c3)sc3nc(N(c5ccc6ccccc6c5)c5ccc6c(c5)oc5ccccc56)ncc34)ccc2c1
InChIInChI=1S/4C53H31N5O2S/c1-3-11-34-25-36(19-17-32(34)9-1)57(38-21-23-43-41-13-5-7-15-46(41)59-48(43)27-38)40-29-50-51(54-30-40)45-31-55-53(56-52(45)61-50)58(37-20-18-33-10-2-4-12-35(33)26-37)39-22-24-44-42-14-6-8-16-47(42)60-49(44)28-39;1-3-11-34-25-36(19-17-32(34)9-1)57(38-21-23-43-41-13-5-7-15-45(41)59-47(43)27-38)40-29-49-51(54-30-40)52-53(61-49)56-50(31-55-52)58(37-20-18-33-10-2-4-12-35(33)26-37)39-22-24-44-42-14-6-8-16-46(42)60-48(44)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)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;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
InChIKeyILARCFCVZJSXGQ-UHFFFAOYSA-N
MW3207.72 g/mol
LogP61.14
Rot. Bonds24

About 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

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 (PubChem CID 165002327) has the molecular formula C212H124N20O8S4 and a molecular weight of 3207.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID165002327
Molecular FormulaC212H124N20O8S4
Molecular Weight3207.72 g/mol
Exact Mass3204.88
IUPAC Name5-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
SMILESc1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cc4sc5cc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)nnc5c4cn3)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cc4sc5nc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)cnc5c4cn3)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cnc4c(c3)sc3nc(N(c5ccc6ccccc6c5)c5ccc6c(c5)oc5ccccc56)cnc34)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cnc4c(c3)sc3nc(N(c5ccc6ccccc6c5)c5ccc6c(c5)oc5ccccc56)ncc34)ccc2c1
InChIInChI=1S/4C53H31N5O2S/c1-3-11-34-25-36(19-17-32(34)9-1)57(38-21-23-43-41-13-5-7-15-46(41)59-48(43)27-38)40-29-50-51(54-30-40)45-31-55-53(56-52(45)61-50)58(37-20-18-33-10-2-4-12-35(33)26-37)39-22-24-44-42-14-6-8-16-47(42)60-49(44)28-39;1-3-11-34-25-36(19-17-32(34)9-1)57(38-21-23-43-41-13-5-7-15-45(41)59-47(43)27-38)40-29-49-51(54-30-40)52-53(61-49)56-50(31-55-52)58(37-20-18-33-10-2-4-12-35(33)26-37)39-22-24-44-42-14-6-8-16-46(42)60-48(44)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)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;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
InChIKeyILARCFCVZJSXGQ-UHFFFAOYSA-N
XLogP61.14
TPSA285.72 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003207.72
LogP ≤ 561.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 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 with MolForge

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Related Compounds

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
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
5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine
CID 164813314
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
5-N,11-N-di(anthracen-2-yl)-5-N,11-N-di(dibenzofuran-3-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
CID 164813420
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
2-N,7-N-di(anthracen-2-yl)-2-N,7-N-di(dibenzofuran-3-yl)-[1]benzothiolo[2,3-b]pyridine-2,7-diamine
CID 164813406
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
5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-di(phenanthren-2-yl)-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine
CID 164812994
3-N,7-N-bis(1-benzofuran-2-yl)-3-N,7-N-di(dibenzofuran-3-yl)-[1]benzothiolo[3,2-b]pyridine-3,7-diamine
CID 164813118
3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[3,2-b]pyridine-3,7-diamine
CID 164813140
3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine-3,7-diamine
CID 164813257

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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cc4sc5cc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)nnc5c4cn3)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cc4sc5nc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)cnc5c4cn3)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cnc4c(c3)sc3nc(N(c5ccc6ccccc6c5)c5ccc6c(c5)oc5ccccc56)cnc34)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cnc4c(c3)sc3nc(N(c5ccc6ccccc6c5)c5ccc6c(c5)oc5ccccc56)ncc34)ccc2c1.
What is the InChIKey of 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?
The InChIKey is ILARCFCVZJSXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C53H31N5O2S/c1-3-11-34-25-36(19-17-32(34)9-1)57(38-21-23-43-41-13-5-7-15-46(41)59-48(43)27-38)40-29-50-51(54-30-40)45-31-55-53(56-52(45)61-50)58(37-20-18-33-10-2-4-12-35(33)26-37)39-22-24-44-42-14-6-8-16-47(42)60-49(44)28-39;1-3-11-34-25-36(19-17-32(34)9-1)57(38-21-23-43-41-13-5-7-15-45(41)59-47(43)27-38)40-29-49-51(54-30-40)52-53(61-49)56-50(31-55-52)58(37-20-18-33-10-2-4-12-35(33)26-37)39-22-24-44-42-14-6-8-16-46(42)60-48(44)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)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;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-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?
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 has a molecular weight of 3207.72 g/mol, XLogP of 61.14, 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-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 is sourced from PubChem (CID 165002327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).