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

C216H128N16O8S4 — CID 164955941

IUPAC5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-thia-3,10-diazatricyclo[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-2-yl-8-thia-4,10-diazatricyclo[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-4,12-diazatricyclo[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-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine
SMILESc1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cc4sc5cc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)ncc5c4cn3)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cc4sc5nc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)ccc5c4cn3)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(n3)sc3nc(N(c5ccc6ccccc6c5)c5ccc6c(c5)oc5ccccc56)ccc34)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cnc4c(c3)sc3nc(N(c5ccc6ccccc6c5)c5ccc6c(c5)oc5ccccc56)ccc34)ccc2c1
InChIInChI=1S/4C54H32N4O2S/c1-3-11-35-25-37(19-17-33(35)9-1)57(39-21-23-43-41-13-5-7-15-47(41)59-49(43)27-39)53-29-51-45(31-55-53)46-32-56-54(30-52(46)61-51)58(38-20-18-34-10-2-4-12-36(34)26-38)40-22-24-44-42-14-6-8-16-48(42)60-50(44)28-40;1-3-11-35-29-37(19-17-33(35)9-1)57(39-21-23-43-41-13-5-7-15-47(41)59-49(43)31-39)51-27-25-45-46-26-28-52(56-54(46)61-53(45)55-51)58(38-20-18-34-10-2-4-12-36(34)30-38)40-22-24-44-42-14-6-8-16-48(42)60-50(44)32-40;1-3-11-35-27-37(19-17-33(35)9-1)57(39-21-23-44-42-13-5-7-15-47(42)59-49(44)29-39)41-31-51-53(55-32-41)46-25-26-52(56-54(46)61-51)58(38-20-18-34-10-2-4-12-36(34)28-38)40-22-24-45-43-14-6-8-16-48(43)60-50(45)30-40;1-3-11-35-27-37(19-17-33(35)9-1)57(39-21-23-43-41-13-5-7-15-47(41)59-49(43)29-39)52-26-25-45-46-32-55-53(31-51(46)61-54(45)56-52)58(38-20-18-34-10-2-4-12-36(34)28-38)40-22-24-44-42-14-6-8-16-48(42)60-50(44)30-40/h4*1-32H
InChIKeyBEBVIXWHWOABOP-UHFFFAOYSA-N
MW3203.77 g/mol
LogP63.56
Rot. Bonds24

About 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-thia-3,10-diazatricyclo[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-2-yl-8-thia-4,10-diazatricyclo[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-4,12-diazatricyclo[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-6,10-diazatricyclo[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-2-yl-8-thia-3,10-diazatricyclo[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-2-yl-8-thia-4,10-diazatricyclo[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-4,12-diazatricyclo[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-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine (PubChem CID 164955941) has the molecular formula C216H128N16O8S4 and a molecular weight of 3203.77 g/mol. Its IUPAC name is 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-thia-3,10-diazatricyclo[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-2-yl-8-thia-4,10-diazatricyclo[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-4,12-diazatricyclo[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-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine.

Molecular Properties

Compound Name5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-thia-3,10-diazatricyclo[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-2-yl-8-thia-4,10-diazatricyclo[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-4,12-diazatricyclo[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-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine
PubChem CID164955941
Molecular FormulaC216H128N16O8S4
Molecular Weight3203.77 g/mol
Exact Mass3200.90
IUPAC Name5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-thia-3,10-diazatricyclo[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-2-yl-8-thia-4,10-diazatricyclo[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-4,12-diazatricyclo[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-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine
SMILESc1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cc4sc5cc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)ncc5c4cn3)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cc4sc5nc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)ccc5c4cn3)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(n3)sc3nc(N(c5ccc6ccccc6c5)c5ccc6c(c5)oc5ccccc56)ccc34)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cnc4c(c3)sc3nc(N(c5ccc6ccccc6c5)c5ccc6c(c5)oc5ccccc56)ccc34)ccc2c1
InChIInChI=1S/4C54H32N4O2S/c1-3-11-35-25-37(19-17-33(35)9-1)57(39-21-23-43-41-13-5-7-15-47(41)59-49(43)27-39)53-29-51-45(31-55-53)46-32-56-54(30-52(46)61-51)58(38-20-18-34-10-2-4-12-36(34)26-38)40-22-24-44-42-14-6-8-16-48(42)60-50(44)28-40;1-3-11-35-29-37(19-17-33(35)9-1)57(39-21-23-43-41-13-5-7-15-47(41)59-49(43)31-39)51-27-25-45-46-26-28-52(56-54(46)61-53(45)55-51)58(38-20-18-34-10-2-4-12-36(34)30-38)40-22-24-44-42-14-6-8-16-48(42)60-50(44)32-40;1-3-11-35-27-37(19-17-33(35)9-1)57(39-21-23-44-42-13-5-7-15-47(42)59-49(44)29-39)41-31-51-53(55-32-41)46-25-26-52(56-54(46)61-51)58(38-20-18-34-10-2-4-12-36(34)28-38)40-22-24-45-43-14-6-8-16-48(43)60-50(45)30-40;1-3-11-35-27-37(19-17-33(35)9-1)57(39-21-23-43-41-13-5-7-15-47(41)59-49(43)29-39)52-26-25-45-46-32-55-53(31-51(46)61-54(45)56-52)58(38-20-18-34-10-2-4-12-36(34)28-38)40-22-24-44-42-14-6-8-16-48(42)60-50(44)30-40/h4*1-32H
InChIKeyBEBVIXWHWOABOP-UHFFFAOYSA-N
XLogP63.56
TPSA234.16 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003203.77
LogP ≤ 563.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

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

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Related Compounds

N,N-di(dibenzofuran-3-yl)-12-pyrimidin-4-yl-[1]benzothiolo[2,3-a]carbazol-1-amine
CID 122461112
1-(14-Dibenzofuran-3-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-[1]benzothiolo[2,3-c]pyridine
CID 122594916
2-(9-Dibenzofuran-3-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-[1]benzothiolo[2,3-d]pyrimidine
CID 122599862
18-[4-[4-[3-[18-(4,6-Diphenyl-1,3,5-triazin-2-yl)-21-naphthalen-1-yl-9-thia-4,7,13,16,18,21,23,26-octazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaen-5-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-21-phenyl-9-oxa-5,14,18,21,25-pentazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene
CID 134232988
3-Benzo[b]carbazol-5-yl-2-dibenzofuran-2-yl-7-pyridin-2-yl-[1]benzothiolo[2,3-b]pyrazine
CID 137433597
10-[2,6-Bis(3-dibenzofuran-1-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]phenothiazine
CID 137434135
10-[2-([1]Benzofuro[2,3-b]carbazol-7-yl)-1,3-benzothiazol-5-yl]-7-isoquinolin-6-yl-[1]benzofuro[2,3-b]carbazole
CID 137458822
6-[8-(8-Thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl)-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-13-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 138721775
8-[12-(8-Thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-[1]benzofuro[3,2-c]pyridine
CID 138722062
6-[17-([1]Benzothiolo[3,2-a]carbazol-12-yl)-4-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-10-yl]-12-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)-[1]benzofuro[3,2-a]carbazole
CID 139484022
8-[17-([1]Benzofuro[3,2-b]pyridin-8-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl]-6-[6-[17-[8-[6-[17-([1]benzothiolo[2,3-c]pyridin-6-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl]-[1]benzothiolo[2,3-c]pyridin-8-yl]-[1]benzothiolo[2,3-b]pyridin-6-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl]-[1]benzothiolo[2,3-b]pyridin-8-yl]-[1]benzofuro[3,2-b]pyridine
CID 139484280
6-[6-[11-[6-(8-Pyrimido[4,5-b]indol-9-yl-[1]benzothiolo[3,2-c]pyridin-4-yl)-[1]benzofuro[2,3-c]pyridin-3-yl]-3,6,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-yl]-[1]benzothiolo[2,3-b]pyridin-3-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 142292568

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-3,10-diazatricyclo[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-2-yl-8-thia-4,10-diazatricyclo[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-4,12-diazatricyclo[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-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 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-thia-3,10-diazatricyclo[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-2-yl-8-thia-4,10-diazatricyclo[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-4,12-diazatricyclo[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-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine (CID 164955941) is 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-thia-3,10-diazatricyclo[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-2-yl-8-thia-4,10-diazatricyclo[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-4,12-diazatricyclo[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-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 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-thia-3,10-diazatricyclo[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-2-yl-8-thia-4,10-diazatricyclo[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-4,12-diazatricyclo[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-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 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-thia-3,10-diazatricyclo[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-2-yl-8-thia-4,10-diazatricyclo[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-4,12-diazatricyclo[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-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine is c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cc4sc5cc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)ncc5c4cn3)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cc4sc5nc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)ccc5c4cn3)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(n3)sc3nc(N(c5ccc6ccccc6c5)c5ccc6c(c5)oc5ccccc56)ccc34)ccc2c1.c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cnc4c(c3)sc3nc(N(c5ccc6ccccc6c5)c5ccc6c(c5)oc5ccccc56)ccc34)ccc2c1.
What is the InChIKey of 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-thia-3,10-diazatricyclo[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-2-yl-8-thia-4,10-diazatricyclo[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-4,12-diazatricyclo[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-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine?
The InChIKey is BEBVIXWHWOABOP-UHFFFAOYSA-N. The full InChI is InChI=1S/4C54H32N4O2S/c1-3-11-35-25-37(19-17-33(35)9-1)57(39-21-23-43-41-13-5-7-15-47(41)59-49(43)27-39)53-29-51-45(31-55-53)46-32-56-54(30-52(46)61-51)58(38-20-18-34-10-2-4-12-36(34)26-38)40-22-24-44-42-14-6-8-16-48(42)60-50(44)28-40;1-3-11-35-29-37(19-17-33(35)9-1)57(39-21-23-43-41-13-5-7-15-47(41)59-49(43)31-39)51-27-25-45-46-26-28-52(56-54(46)61-53(45)55-51)58(38-20-18-34-10-2-4-12-36(34)30-38)40-22-24-44-42-14-6-8-16-48(42)60-50(44)32-40;1-3-11-35-27-37(19-17-33(35)9-1)57(39-21-23-44-42-13-5-7-15-47(42)59-49(44)29-39)41-31-51-53(55-32-41)46-25-26-52(56-54(46)61-51)58(38-20-18-34-10-2-4-12-36(34)28-38)40-22-24-45-43-14-6-8-16-48(43)60-50(45)30-40;1-3-11-35-27-37(19-17-33(35)9-1)57(39-21-23-43-41-13-5-7-15-47(41)59-49(43)29-39)52-26-25-45-46-32-55-53(31-51(46)61-54(45)56-52)58(38-20-18-34-10-2-4-12-36(34)28-38)40-22-24-44-42-14-6-8-16-48(42)60-50(44)30-40/h4*1-32H.
What are the key properties of 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-thia-3,10-diazatricyclo[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-2-yl-8-thia-4,10-diazatricyclo[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-4,12-diazatricyclo[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-6,10-diazatricyclo[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-2-yl-8-thia-3,10-diazatricyclo[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-2-yl-8-thia-4,10-diazatricyclo[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-4,12-diazatricyclo[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-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 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-thia-3,10-diazatricyclo[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-2-yl-8-thia-4,10-diazatricyclo[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-4,12-diazatricyclo[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-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 164955941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).