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

C216H128N16O8S4 — CID 165032356

IUPAC5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-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-1-yl-8-thia-3,12-diazatricyclo[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-1-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-1-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
SMILESc1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3cc4sc5cc(N(c6ccc7c(c6)oc6ccccc67)c6cccc7ccccc67)ncc5c4cn3)cccc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3cc4sc5nc(N(c6ccc7c(c6)oc6ccccc67)c6cccc7ccccc67)ccc5c4cn3)cccc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3cnc4c(c3)sc3cc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)ncc34)cccc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3cnc4c(c3)sc3nc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)ccc34)cccc2c1
InChIInChI=1S/4C54H32N4O2S/c1-3-15-38-33(11-1)13-9-19-45(38)57(35-23-25-42-40-17-5-7-21-47(40)59-49(42)27-35)37-29-52-54(56-31-37)44-32-55-53(30-51(44)61-52)58(46-20-10-14-34-12-2-4-16-39(34)46)36-24-26-43-41-18-6-8-22-48(41)60-50(43)28-36;1-3-15-37-33(11-1)13-9-19-45(37)57(35-23-25-41-39-17-5-7-21-47(39)59-49(41)27-35)53-29-51-43(31-55-53)44-32-56-54(30-52(44)61-51)58(46-20-10-14-34-12-2-4-16-38(34)46)36-24-26-42-40-18-6-8-22-48(40)60-50(42)28-36;1-3-15-38-33(11-1)13-9-19-45(38)57(35-23-25-42-40-17-5-7-21-47(40)59-49(42)29-35)37-31-51-53(55-32-37)44-27-28-52(56-54(44)61-51)58(46-20-10-14-34-12-2-4-16-39(34)46)36-24-26-43-41-18-6-8-22-48(41)60-50(43)30-36;1-3-15-37-33(11-1)13-9-19-45(37)57(35-23-25-41-39-17-5-7-21-47(39)59-49(41)29-35)52-28-27-43-44-32-55-53(31-51(44)61-54(43)56-52)58(46-20-10-14-34-12-2-4-16-38(34)46)36-24-26-42-40-18-6-8-22-48(40)60-50(42)30-36/h4*1-32H
InChIKeyMVYBKQBRZCYKSF-UHFFFAOYSA-N
MW3203.77 g/mol
LogP63.56
Rot. Bonds24

About 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-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-1-yl-8-thia-3,12-diazatricyclo[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-1-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-1-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-1-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-1-yl-8-thia-3,12-diazatricyclo[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-1-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-1-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine (PubChem CID 165032356) 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-1-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-1-yl-8-thia-3,12-diazatricyclo[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-1-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-1-yl-8-thia-4,12-diazatricyclo[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-3-yl)-5-N,11-N-dinaphthalen-1-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-1-yl-8-thia-3,12-diazatricyclo[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-1-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-1-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
PubChem CID165032356
Molecular FormulaC216H128N16O8S4
Molecular Weight3203.77 g/mol
Exact Mass3200.90
IUPAC Name5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-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-1-yl-8-thia-3,12-diazatricyclo[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-1-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-1-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
SMILESc1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3cc4sc5cc(N(c6ccc7c(c6)oc6ccccc67)c6cccc7ccccc67)ncc5c4cn3)cccc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3cc4sc5nc(N(c6ccc7c(c6)oc6ccccc67)c6cccc7ccccc67)ccc5c4cn3)cccc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3cnc4c(c3)sc3cc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)ncc34)cccc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3cnc4c(c3)sc3nc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)ccc34)cccc2c1
InChIInChI=1S/4C54H32N4O2S/c1-3-15-38-33(11-1)13-9-19-45(38)57(35-23-25-42-40-17-5-7-21-47(40)59-49(42)27-35)37-29-52-54(56-31-37)44-32-55-53(30-51(44)61-52)58(46-20-10-14-34-12-2-4-16-39(34)46)36-24-26-43-41-18-6-8-22-48(41)60-50(43)28-36;1-3-15-37-33(11-1)13-9-19-45(37)57(35-23-25-41-39-17-5-7-21-47(39)59-49(41)27-35)53-29-51-43(31-55-53)44-32-56-54(30-52(44)61-51)58(46-20-10-14-34-12-2-4-16-38(34)46)36-24-26-42-40-18-6-8-22-48(40)60-50(42)28-36;1-3-15-38-33(11-1)13-9-19-45(38)57(35-23-25-42-40-17-5-7-21-47(40)59-49(42)29-35)37-31-51-53(55-32-37)44-27-28-52(56-54(44)61-51)58(46-20-10-14-34-12-2-4-16-39(34)46)36-24-26-43-41-18-6-8-22-48(41)60-50(43)30-36;1-3-15-37-33(11-1)13-9-19-45(37)57(35-23-25-41-39-17-5-7-21-47(39)59-49(41)29-35)52-28-27-43-44-32-55-53(31-51(44)61-54(43)56-52)58(46-20-10-14-34-12-2-4-16-38(34)46)36-24-26-42-40-18-6-8-22-48(40)60-50(42)30-36/h4*1-32H
InChIKeyMVYBKQBRZCYKSF-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-1-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-1-yl-8-thia-3,12-diazatricyclo[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-1-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-1-yl-8-thia-4,12-diazatricyclo[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

N,N-di(dibenzofuran-3-yl)-7-[4-(3,5-dimethylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-h]carbazol-8-amine
CID 122461090
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
4-(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[3,2-d]pyrimidine
CID 122594965
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
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

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-3,10-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-1-yl-8-thia-3,12-diazatricyclo[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-1-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-1-yl-8-thia-4,12-diazatricyclo[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-3-yl)-5-N,11-N-dinaphthalen-1-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-1-yl-8-thia-3,12-diazatricyclo[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-1-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-1-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine (CID 165032356) is 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-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-1-yl-8-thia-3,12-diazatricyclo[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-1-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-1-yl-8-thia-4,12-diazatricyclo[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-3-yl)-5-N,11-N-dinaphthalen-1-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-1-yl-8-thia-3,12-diazatricyclo[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-1-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-1-yl-8-thia-4,12-diazatricyclo[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-3-yl)-5-N,11-N-dinaphthalen-1-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-1-yl-8-thia-3,12-diazatricyclo[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-1-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-1-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine is c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3cc4sc5cc(N(c6ccc7c(c6)oc6ccccc67)c6cccc7ccccc67)ncc5c4cn3)cccc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3cc4sc5nc(N(c6ccc7c(c6)oc6ccccc67)c6cccc7ccccc67)ccc5c4cn3)cccc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3cnc4c(c3)sc3cc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)ncc34)cccc2c1.c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3cnc4c(c3)sc3nc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)ccc34)cccc2c1.
What is the InChIKey of 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-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-1-yl-8-thia-3,12-diazatricyclo[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-1-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-1-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine?
The InChIKey is MVYBKQBRZCYKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C54H32N4O2S/c1-3-15-38-33(11-1)13-9-19-45(38)57(35-23-25-42-40-17-5-7-21-47(40)59-49(42)27-35)37-29-52-54(56-31-37)44-32-55-53(30-51(44)61-52)58(46-20-10-14-34-12-2-4-16-39(34)46)36-24-26-43-41-18-6-8-22-48(41)60-50(43)28-36;1-3-15-37-33(11-1)13-9-19-45(37)57(35-23-25-41-39-17-5-7-21-47(39)59-49(41)27-35)53-29-51-43(31-55-53)44-32-56-54(30-52(44)61-51)58(46-20-10-14-34-12-2-4-16-38(34)46)36-24-26-42-40-18-6-8-22-48(40)60-50(42)28-36;1-3-15-38-33(11-1)13-9-19-45(38)57(35-23-25-42-40-17-5-7-21-47(40)59-49(42)29-35)37-31-51-53(55-32-37)44-27-28-52(56-54(44)61-51)58(46-20-10-14-34-12-2-4-16-39(34)46)36-24-26-43-41-18-6-8-22-48(41)60-50(43)30-36;1-3-15-37-33(11-1)13-9-19-45(37)57(35-23-25-41-39-17-5-7-21-47(39)59-49(41)29-35)52-28-27-43-44-32-55-53(31-51(44)61-54(43)56-52)58(46-20-10-14-34-12-2-4-16-38(34)46)36-24-26-42-40-18-6-8-22-48(40)60-50(42)30-36/h4*1-32H.
What are the key properties of 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-1-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-1-yl-8-thia-3,12-diazatricyclo[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-1-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-1-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-1-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-1-yl-8-thia-3,12-diazatricyclo[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-1-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-1-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-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-1-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-1-yl-8-thia-3,12-diazatricyclo[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-1-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-1-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine is sourced from PubChem (CID 165032356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).