N-dibenzothiophen-3-yl-N-phenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-6-amine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N,12,24-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-dinaphthalen-2-yl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-3-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine

C234H137N7O10S5 — CID 163578656

IUPACN-dibenzothiophen-3-yl-N-phenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-6-amine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N,12,24-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-dinaphthalen-2-yl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-3-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
SMILESc1ccc(-c2cc3c4ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc4oc3c3c(-c4ccccc4)cc4c5ccc(N(c6ccccc6)c6cccc7c6oc6ccccc67)cc5oc4c23)cc1.c1ccc(N(c2ccc3c(c2)oc2c3ccc3c2ccc2c4ccc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)cc4oc23)c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)oc2c3ccc3c2ccc2c4ccccc4oc23)c2ccc3c(c2)sc2ccccc23)cc1.c1ccc2cc(N(c3ccc4c(c3)oc3c4ccc4c3ccc3c5ccc(N(c6ccc7ccccc7c6)c6ccc7sc8ccccc8c7c6)cc5oc34)c3ccc4sc5ccccc5c4c3)ccc2c1
InChIInChI=1S/C70H42N2O4.C66H38N2O2S2.C58H34N2O2S2.C40H23NO2S/c1-5-19-43(20-6-1)55-41-57-51-37-35-47(71(45-23-9-3-10-24-45)59-31-17-29-53-49-27-13-15-33-61(49)73-67(53)59)39-63(51)76-70(57)66-56(44-21-7-2-8-22-44)42-58-52-38-36-48(40-64(52)75-69(58)65(55)66)72(46-25-11-4-12-26-46)60-32-18-30-54-50-28-14-16-34-62(50)74-68(54)60;1-3-11-41-33-43(19-17-39(41)9-1)67(45-23-31-63-57(35-45)51-13-5-7-15-61(51)71-63)47-21-25-49-53-27-29-56-55(65(53)69-59(49)37-47)30-28-54-50-26-22-48(38-60(50)70-66(54)56)68(44-20-18-40-10-2-4-12-42(40)34-44)46-24-32-64-58(36-46)52-14-6-8-16-62(52)72-64;1-3-11-35(12-4-1)59(39-21-25-45-43-15-7-9-17-53(43)63-55(45)33-39)37-19-23-41-47-27-29-50-49(57(47)61-51(41)31-37)30-28-48-42-24-20-38(32-52(42)62-58(48)50)60(36-13-5-2-6-14-36)40-22-26-46-44-16-8-10-18-54(44)64-56(46)34-40;1-2-8-24(9-3-1)41(26-15-17-30-29-11-5-7-13-37(29)44-38(30)23-26)25-14-16-28-32-19-21-33-34(40(32)43-36(28)22-25)20-18-31-27-10-4-6-12-35(27)42-39(31)33/h1-42H;1-38H;1-34H;1-23H
InChIKeyGFRJGVALVKQYJH-UHFFFAOYSA-N
MW3367.04 g/mol
LogP72.12
Rot. Bonds23

About N-dibenzothiophen-3-yl-N-phenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-6-amine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N,12,24-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-dinaphthalen-2-yl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-3-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine

N-dibenzothiophen-3-yl-N-phenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-6-amine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N,12,24-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-dinaphthalen-2-yl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-3-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine (PubChem CID 163578656) has the molecular formula C234H137N7O10S5 and a molecular weight of 3367.04 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-phenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-6-amine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N,12,24-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-dinaphthalen-2-yl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-3-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-phenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-6-amine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N,12,24-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-dinaphthalen-2-yl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-3-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
PubChem CID163578656
Molecular FormulaC234H137N7O10S5
Molecular Weight3367.04 g/mol
Exact Mass3363.90
IUPAC NameN-dibenzothiophen-3-yl-N-phenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-6-amine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N,12,24-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-dinaphthalen-2-yl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-3-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
SMILESc1ccc(-c2cc3c4ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc4oc3c3c(-c4ccccc4)cc4c5ccc(N(c6ccccc6)c6cccc7c6oc6ccccc67)cc5oc4c23)cc1.c1ccc(N(c2ccc3c(c2)oc2c3ccc3c2ccc2c4ccc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)cc4oc23)c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)oc2c3ccc3c2ccc2c4ccccc4oc23)c2ccc3c(c2)sc2ccccc23)cc1.c1ccc2cc(N(c3ccc4c(c3)oc3c4ccc4c3ccc3c5ccc(N(c6ccc7ccccc7c6)c6ccc7sc8ccccc8c7c6)cc5oc34)c3ccc4sc5ccccc5c4c3)ccc2c1
InChIInChI=1S/C70H42N2O4.C66H38N2O2S2.C58H34N2O2S2.C40H23NO2S/c1-5-19-43(20-6-1)55-41-57-51-37-35-47(71(45-23-9-3-10-24-45)59-31-17-29-53-49-27-13-15-33-61(49)73-67(53)59)39-63(51)76-70(57)66-56(44-21-7-2-8-22-44)42-58-52-38-36-48(40-64(52)75-69(58)65(55)66)72(46-25-11-4-12-26-46)60-32-18-30-54-50-28-14-16-34-62(50)74-68(54)60;1-3-11-41-33-43(19-17-39(41)9-1)67(45-23-31-63-57(35-45)51-13-5-7-15-61(51)71-63)47-21-25-49-53-27-29-56-55(65(53)69-59(49)37-47)30-28-54-50-26-22-48(38-60(50)70-66(54)56)68(44-20-18-40-10-2-4-12-42(40)34-44)46-24-32-64-58(36-46)52-14-6-8-16-62(52)72-64;1-3-11-35(12-4-1)59(39-21-25-45-43-15-7-9-17-53(43)63-55(45)33-39)37-19-23-41-47-27-29-50-49(57(47)61-51(41)31-37)30-28-48-42-24-20-38(32-52(42)62-58(48)50)60(36-13-5-2-6-14-36)40-22-26-46-44-16-8-10-18-54(44)64-56(46)34-40;1-2-8-24(9-3-1)41(26-15-17-30-29-11-5-7-13-37(29)44-38(30)23-26)25-14-16-28-32-19-21-33-34(40(32)43-36(28)22-25)20-18-31-27-10-4-6-12-35(27)42-39(31)33/h1-42H;1-38H;1-34H;1-23H
InChIKeyGFRJGVALVKQYJH-UHFFFAOYSA-N
XLogP72.12
TPSA154.08 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms256
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003367.04
LogP ≤ 572.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze N-dibenzothiophen-3-yl-N-phenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-6-amine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N,12,24-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-dinaphthalen-2-yl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-3-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine with MolForge

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Related Compounds

7-N-[8-[dibenzofuran-4-yl(naphthalen-2-yl)amino]dibenzothiophen-3-yl]-7-N-naphthalen-1-yl-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N-phenyldibenzothiophene-2,7-diamine;7-N-[8-(N-dibenzothiophen-3-yl-4-phenylanilino)dibenzothiophen-3-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 160895207
3-N-dibenzothiophen-3-yl-3-N,6-N-diphenyl-6-N-(2-phenylphenyl)dibenzofuran-3,6-diamine
CID 146574174
5-N-dibenzofuran-3-yl-18-N-dibenzofuran-4-yl-5-N,18-N-bis(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N-dibenzofuran-3-yl-18-N-dibenzofuran-4-yl-5-N-phenyl-18-N-(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-dibenzofuran-4-yl-5-N-dibenzothiophen-2-yl-5-N,18-N-bis(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 158660183
3-N-dibenzothiophen-3-yl-3-N,6-N,6-N-triphenyldibenzofuran-3,6-diamine
CID 146574170
N-dibenzothiophen-3-yl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine
CID 140943740
N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine
CID 167396373
7-N-dibenzothiophen-3-yl-7-N-[3-(N-naphthalen-2-ylanilino)phenyl]-2-N-phenyl-2-N-(2-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979897
1-N,7-N-di(dibenzofuran-3-yl)-1-N,7-N-dinaphthalen-1-yl-4,5-diphenylnaphthalene-1,7-diamine;1-N,7-N-di(dibenzofuran-4-yl)-1-N-naphthalen-1-yl-7-N-naphthalen-2-yl-4,5-diphenylnaphthalene-1,7-diamine;1-N,7-N-di(dibenzothiophen-1-yl)-1-N,7-N-dinaphthalen-1-yl-4,5-diphenylnaphthalene-1,7-diamine;1-N,7-N-di(dibenzothiophen-3-yl)-1-N,7-N-dinaphthalen-1-yl-4,5-diphenylnaphthalene-1,7-diamine;1-N,7-N-di(dibenzothiophen-4-yl)-1-N-naphthalen-1-yl-7-N-naphthalen-2-yl-4,5-diphenylnaphthalene-1,7-diamine;1-N,7-N,4,5-tetraphenyl-1-N,7-N-bis(2-phenylphenyl)naphthalene-1,7-diamine
CID 159307043
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-2-amine;N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine;N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-phenyldibenzothiophen-2-amine;N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-4-amine
CID 158349506
N-dibenzothiophen-2-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 163977940
7-N-dibenzofuran-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N-(4-naphthalen-1-ylphenyl)-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 167608369
N-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine
CID 167144638

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-phenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-6-amine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N,12,24-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-dinaphthalen-2-yl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-3-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine?
The IUPAC name of N-dibenzothiophen-3-yl-N-phenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-6-amine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N,12,24-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-dinaphthalen-2-yl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-3-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine (CID 163578656) is N-dibenzothiophen-3-yl-N-phenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-6-amine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N,12,24-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-dinaphthalen-2-yl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-3-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-phenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-6-amine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N,12,24-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-dinaphthalen-2-yl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-3-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-phenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-6-amine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N,12,24-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-dinaphthalen-2-yl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-3-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine is c1ccc(-c2cc3c4ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc4oc3c3c(-c4ccccc4)cc4c5ccc(N(c6ccccc6)c6cccc7c6oc6ccccc67)cc5oc4c23)cc1.c1ccc(N(c2ccc3c(c2)oc2c3ccc3c2ccc2c4ccc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)cc4oc23)c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)oc2c3ccc3c2ccc2c4ccccc4oc23)c2ccc3c(c2)sc2ccccc23)cc1.c1ccc2cc(N(c3ccc4c(c3)oc3c4ccc4c3ccc3c5ccc(N(c6ccc7ccccc7c6)c6ccc7sc8ccccc8c7c6)cc5oc34)c3ccc4sc5ccccc5c4c3)ccc2c1.
What is the InChIKey of N-dibenzothiophen-3-yl-N-phenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-6-amine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N,12,24-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-dinaphthalen-2-yl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-3-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine?
The InChIKey is GFRJGVALVKQYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N2O4.C66H38N2O2S2.C58H34N2O2S2.C40H23NO2S/c1-5-19-43(20-6-1)55-41-57-51-37-35-47(71(45-23-9-3-10-24-45)59-31-17-29-53-49-27-13-15-33-61(49)73-67(53)59)39-63(51)76-70(57)66-56(44-21-7-2-8-22-44)42-58-52-38-36-48(40-64(52)75-69(58)65(55)66)72(46-25-11-4-12-26-46)60-32-18-30-54-50-28-14-16-34-62(50)74-68(54)60;1-3-11-41-33-43(19-17-39(41)9-1)67(45-23-31-63-57(35-45)51-13-5-7-15-61(51)71-63)47-21-25-49-53-27-29-56-55(65(53)69-59(49)37-47)30-28-54-50-26-22-48(38-60(50)70-66(54)56)68(44-20-18-40-10-2-4-12-42(40)34-44)46-24-32-64-58(36-46)52-14-6-8-16-62(52)72-64;1-3-11-35(12-4-1)59(39-21-25-45-43-15-7-9-17-53(43)63-55(45)33-39)37-19-23-41-47-27-29-50-49(57(47)61-51(41)31-37)30-28-48-42-24-20-38(32-52(42)62-58(48)50)60(36-13-5-2-6-14-36)40-22-26-46-44-16-8-10-18-54(44)64-56(46)34-40;1-2-8-24(9-3-1)41(26-15-17-30-29-11-5-7-13-37(29)44-38(30)23-26)25-14-16-28-32-19-21-33-34(40(32)43-36(28)22-25)20-18-31-27-10-4-6-12-35(27)42-39(31)33/h1-42H;1-38H;1-34H;1-23H.
What are the key properties of N-dibenzothiophen-3-yl-N-phenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-6-amine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N,12,24-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-dinaphthalen-2-yl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-3-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine?
N-dibenzothiophen-3-yl-N-phenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-6-amine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N,12,24-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-dinaphthalen-2-yl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-3-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine has a molecular weight of 3367.04 g/mol, XLogP of 72.12, 23 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N-phenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-6-amine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N,12,24-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-dinaphthalen-2-yl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-3-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine is sourced from PubChem (CID 163578656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).