6-N,18-N-bis(9H-carbazol-2-yl)-6-N,18-N-diphenyl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-4-yl)-6-N,18-N-bis(9-phenylcarbazol-3-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;ethane

C226H144N12O2S8 — CID 163587153

IUPAC6-N,18-N-bis(9H-carbazol-2-yl)-6-N,18-N-diphenyl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-4-yl)-6-N,18-N-bis(9-phenylcarbazol-3-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;ethane
SMILESCC.CC.c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)sc4ccc6c(ccc7sc8cc(N(c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c9cccc%10c9sc9ccccc9%10)ccc8c76)c45)c4cccc5c4sc4ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)sc4ccc6c(ccc7sc8cc(N(c9ccc%10oc%11ccccc%11c%10c9)c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)ccc8c76)c45)c4ccc5oc6ccccc6c5c4)cc32)cc1.c1ccc(N(c2ccc3c(c2)[nH]c2ccccc23)c2ccc3c(c2)sc2ccc4c(ccc5sc6cc(N(c7ccccc7)c7ccc8c(c7)[nH]c7ccccc78)ccc6c54)c23)cc1
InChIInChI=1S/C82H48N4O2S2.C82H48N4S4.C58H36N4S2.2C2H6/c1-3-15-49(16-4-1)85-69-23-11-7-19-57(69)59-33-27-53(45-71(59)85)83(51-31-39-75-67(43-51)61-21-9-13-25-73(61)87-75)55-29-35-65-79(47-55)89-77-41-37-64-63(81(65)77)38-42-78-82(64)66-36-30-56(48-80(66)90-78)84(52-32-40-76-68(44-52)62-22-10-14-26-74(62)88-76)54-28-34-60-58-20-8-12-24-70(58)86(72(60)46-54)50-17-5-2-6-18-50;1-3-17-49(18-4-1)85-67-27-11-7-21-55(67)65-45-51(35-41-69(65)85)83(71-29-15-25-61-57-23-9-13-31-73(57)89-81(61)71)53-33-37-63-77(47-53)87-75-43-39-60-59(79(63)75)40-44-76-80(60)64-38-34-54(48-78(64)88-76)84(72-30-16-26-62-58-24-10-14-32-74(58)90-82(62)72)52-36-42-70-66(46-52)56-22-8-12-28-68(56)86(70)50-19-5-2-6-20-50;1-3-11-35(12-4-1)61(37-19-23-43-41-15-7-9-17-49(41)59-51(43)31-37)39-21-25-47-55(33-39)63-53-29-27-46-45(57(47)53)28-30-54-58(46)48-26-22-40(34-56(48)64-54)62(36-13-5-2-6-14-36)38-20-24-44-42-16-8-10-18-50(42)60-52(44)32-38;2*1-2/h2*1-48H;1-34,59-60H;2*1-2H3
InChIKeyGMKVKSDXBAZXGT-UHFFFAOYSA-N
MW3316.26 g/mol
LogP69.79
Rot. Bonds22

About 6-N,18-N-bis(9H-carbazol-2-yl)-6-N,18-N-diphenyl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-4-yl)-6-N,18-N-bis(9-phenylcarbazol-3-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;ethane

6-N,18-N-bis(9H-carbazol-2-yl)-6-N,18-N-diphenyl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-4-yl)-6-N,18-N-bis(9-phenylcarbazol-3-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;ethane (PubChem CID 163587153) has the molecular formula C226H144N12O2S8 and a molecular weight of 3316.26 g/mol. Its IUPAC name is 6-N,18-N-bis(9H-carbazol-2-yl)-6-N,18-N-diphenyl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-4-yl)-6-N,18-N-bis(9-phenylcarbazol-3-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;ethane.

Molecular Properties

Compound Name6-N,18-N-bis(9H-carbazol-2-yl)-6-N,18-N-diphenyl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-4-yl)-6-N,18-N-bis(9-phenylcarbazol-3-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;ethane
PubChem CID163587153
Molecular FormulaC226H144N12O2S8
Molecular Weight3316.26 g/mol
Exact Mass3312.93
IUPAC Name6-N,18-N-bis(9H-carbazol-2-yl)-6-N,18-N-diphenyl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-4-yl)-6-N,18-N-bis(9-phenylcarbazol-3-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;ethane
SMILESCC.CC.c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)sc4ccc6c(ccc7sc8cc(N(c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c9cccc%10c9sc9ccccc9%10)ccc8c76)c45)c4cccc5c4sc4ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)sc4ccc6c(ccc7sc8cc(N(c9ccc%10oc%11ccccc%11c%10c9)c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)ccc8c76)c45)c4ccc5oc6ccccc6c5c4)cc32)cc1.c1ccc(N(c2ccc3c(c2)[nH]c2ccccc23)c2ccc3c(c2)sc2ccc4c(ccc5sc6cc(N(c7ccccc7)c7ccc8c(c7)[nH]c7ccccc78)ccc6c54)c23)cc1
InChIInChI=1S/C82H48N4O2S2.C82H48N4S4.C58H36N4S2.2C2H6/c1-3-15-49(16-4-1)85-69-23-11-7-19-57(69)59-33-27-53(45-71(59)85)83(51-31-39-75-67(43-51)61-21-9-13-25-73(61)87-75)55-29-35-65-79(47-55)89-77-41-37-64-63(81(65)77)38-42-78-82(64)66-36-30-56(48-80(66)90-78)84(52-32-40-76-68(44-52)62-22-10-14-26-74(62)88-76)54-28-34-60-58-20-8-12-24-70(58)86(72(60)46-54)50-17-5-2-6-18-50;1-3-17-49(18-4-1)85-67-27-11-7-21-55(67)65-45-51(35-41-69(65)85)83(71-29-15-25-61-57-23-9-13-31-73(57)89-81(61)71)53-33-37-63-77(47-53)87-75-43-39-60-59(79(63)75)40-44-76-80(60)64-38-34-54(48-78(64)88-76)84(72-30-16-26-62-58-24-10-14-32-74(58)90-82(62)72)52-36-42-70-66(46-52)56-22-8-12-28-68(56)86(70)50-19-5-2-6-20-50;1-3-11-35(12-4-1)61(37-19-23-43-41-15-7-9-17-49(41)59-51(43)31-37)39-21-25-47-55(33-39)63-53-29-27-46-45(57(47)53)28-30-54-58(46)48-26-22-40(34-56(48)64-54)62(36-13-5-2-6-14-36)38-20-24-44-42-16-8-10-18-50(42)60-52(44)32-38;2*1-2/h2*1-48H;1-34,59-60H;2*1-2H3
InChIKeyGMKVKSDXBAZXGT-UHFFFAOYSA-N
XLogP69.79
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003316.26
LogP ≤ 569.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 6-N,18-N-bis(9H-carbazol-2-yl)-6-N,18-N-diphenyl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-4-yl)-6-N,18-N-bis(9-phenylcarbazol-3-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;ethane with MolForge

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Related Compounds

10-N,22-N-bis(4-fluorophenyl)-26-phenyl-10-N,22-N-bis(6-phenyldibenzofuran-2-yl)-13-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.023,30.024,29]triaconta-2(18),3(15),4,6(14),7(12),8,10,16,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine
CID 156374017
CID 157991336
CID 157991336
9-[8-[3-Cyano-6-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]-6-methylcarbazole-3-carbonitrile;9-dibenzofuran-2-yl-3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6-isocyanocarbazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;3,6-diisocyano-9-(9-phenylcarbazol-3-yl)carbazole
CID 158828017
2,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[2,1-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(11H-indeno[1,2-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(11H-indolo[3,2-b]carbazol-5-yl)benzonitrile
CID 158889183
5-[2-[5-([1]Benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 159237885
12-[4-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(2,3,4,5,6-pentafluorophenyl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 159281223
2,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[2,1-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile
CID 159397657
2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine;2-N,9-dimethyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine;2-N,9-dimethyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine;2-N,9-dimethyl-7-N-[4-(4-methylphenyl)sulfanylphenyl]-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine;2-N,9-dimethyl-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]-7-N-(6,9,9-trimethylfluoren-3-yl)carbazole-2,7-diamine
CID 161580377
3-Dibenzothiophen-2-yl-9-[8-(3-dibenzothiophen-2-ylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 57997678
3-[6-Carbazol-9-yl-8-(3-carbazol-9-ylphenyl)dibenzothiophen-4-yl]-9-dibenzofuran-2-ylcarbazole
CID 58059124
3-[2-[6-[2-(8-Carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
CID 58099788
3-(2-Carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole
CID 58099819

Frequently Asked Questions

What is the IUPAC name of 6-N,18-N-bis(9H-carbazol-2-yl)-6-N,18-N-diphenyl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-4-yl)-6-N,18-N-bis(9-phenylcarbazol-3-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;ethane?
The IUPAC name of 6-N,18-N-bis(9H-carbazol-2-yl)-6-N,18-N-diphenyl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-4-yl)-6-N,18-N-bis(9-phenylcarbazol-3-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;ethane (CID 163587153) is 6-N,18-N-bis(9H-carbazol-2-yl)-6-N,18-N-diphenyl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-4-yl)-6-N,18-N-bis(9-phenylcarbazol-3-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;ethane.
What is the SMILES notation for 6-N,18-N-bis(9H-carbazol-2-yl)-6-N,18-N-diphenyl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-4-yl)-6-N,18-N-bis(9-phenylcarbazol-3-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;ethane?
The canonical SMILES for 6-N,18-N-bis(9H-carbazol-2-yl)-6-N,18-N-diphenyl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-4-yl)-6-N,18-N-bis(9-phenylcarbazol-3-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;ethane is CC.CC.c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)sc4ccc6c(ccc7sc8cc(N(c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c9cccc%10c9sc9ccccc9%10)ccc8c76)c45)c4cccc5c4sc4ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)sc4ccc6c(ccc7sc8cc(N(c9ccc%10oc%11ccccc%11c%10c9)c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)ccc8c76)c45)c4ccc5oc6ccccc6c5c4)cc32)cc1.c1ccc(N(c2ccc3c(c2)[nH]c2ccccc23)c2ccc3c(c2)sc2ccc4c(ccc5sc6cc(N(c7ccccc7)c7ccc8c(c7)[nH]c7ccccc78)ccc6c54)c23)cc1.
What is the InChIKey of 6-N,18-N-bis(9H-carbazol-2-yl)-6-N,18-N-diphenyl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-4-yl)-6-N,18-N-bis(9-phenylcarbazol-3-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;ethane?
The InChIKey is GMKVKSDXBAZXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H48N4O2S2.C82H48N4S4.C58H36N4S2.2C2H6/c1-3-15-49(16-4-1)85-69-23-11-7-19-57(69)59-33-27-53(45-71(59)85)83(51-31-39-75-67(43-51)61-21-9-13-25-73(61)87-75)55-29-35-65-79(47-55)89-77-41-37-64-63(81(65)77)38-42-78-82(64)66-36-30-56(48-80(66)90-78)84(52-32-40-76-68(44-52)62-22-10-14-26-74(62)88-76)54-28-34-60-58-20-8-12-24-70(58)86(72(60)46-54)50-17-5-2-6-18-50;1-3-17-49(18-4-1)85-67-27-11-7-21-55(67)65-45-51(35-41-69(65)85)83(71-29-15-25-61-57-23-9-13-31-73(57)89-81(61)71)53-33-37-63-77(47-53)87-75-43-39-60-59(79(63)75)40-44-76-80(60)64-38-34-54(48-78(64)88-76)84(72-30-16-26-62-58-24-10-14-32-74(58)90-82(62)72)52-36-42-70-66(46-52)56-22-8-12-28-68(56)86(70)50-19-5-2-6-20-50;1-3-11-35(12-4-1)61(37-19-23-43-41-15-7-9-17-49(41)59-51(43)31-37)39-21-25-47-55(33-39)63-53-29-27-46-45(57(47)53)28-30-54-58(46)48-26-22-40(34-56(48)64-54)62(36-13-5-2-6-14-36)38-20-24-44-42-16-8-10-18-50(42)60-52(44)32-38;2*1-2/h2*1-48H;1-34,59-60H;2*1-2H3.
What are the key properties of 6-N,18-N-bis(9H-carbazol-2-yl)-6-N,18-N-diphenyl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-4-yl)-6-N,18-N-bis(9-phenylcarbazol-3-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;ethane?
6-N,18-N-bis(9H-carbazol-2-yl)-6-N,18-N-diphenyl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-4-yl)-6-N,18-N-bis(9-phenylcarbazol-3-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;ethane has a molecular weight of 3316.26 g/mol, XLogP of 69.79, 22 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,18-N-bis(9H-carbazol-2-yl)-6-N,18-N-diphenyl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-4-yl)-6-N,18-N-bis(9-phenylcarbazol-3-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;ethane is sourced from PubChem (CID 163587153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).