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-bis(9-methylcarbazol-3-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

C286H184N16O2S10 — CID 165080254

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-bis(9-methylcarbazol-3-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.Cn1c2ccccc2c2cc(N(c3ccccc3)c3ccc4c(c3)sc3ccc5c(ccc6sc7cc(N(c8ccccc8)c8ccc9c(c8)c8ccccc8n9C)ccc7c65)c34)ccc21.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.C60H40N4S2.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;1-61-51-19-11-9-17-43(51)49-33-39(23-29-53(49)61)63(37-13-5-3-6-14-37)41-21-25-47-57(35-41)65-55-31-27-46-45(59(47)55)28-32-56-60(46)48-26-22-42(36-58(48)66-56)64(38-15-7-4-8-16-38)40-24-30-54-50(34-40)44-18-10-12-20-52(44)62(54)2;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;3-36H,1-2H3;1-34,59-60H;2*1-2H3
InChIKeyUZMXFXZIRRPXDK-UHFFFAOYSA-N
MW4197.40 g/mol
LogP87.60
Rot. Bonds28

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-bis(9-methylcarbazol-3-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-bis(9-methylcarbazol-3-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 165080254) has the molecular formula C286H184N16O2S10 and a molecular weight of 4197.40 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-bis(9-methylcarbazol-3-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-bis(9-methylcarbazol-3-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 CID165080254
Molecular FormulaC286H184N16O2S10
Molecular Weight4197.40 g/mol
Exact Mass4193.20
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-bis(9-methylcarbazol-3-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.Cn1c2ccccc2c2cc(N(c3ccccc3)c3ccc4c(c3)sc3ccc5c(ccc6sc7cc(N(c8ccccc8)c8ccc9c(c8)c8ccccc8n9C)ccc7c65)c34)ccc21.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.C60H40N4S2.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;1-61-51-19-11-9-17-43(51)49-33-39(23-29-53(49)61)63(37-13-5-3-6-14-37)41-21-25-47-57(35-41)65-55-31-27-46-45(59(47)55)28-32-56-60(46)48-26-22-42(36-58(48)66-56)64(38-15-7-4-8-16-38)40-24-30-54-50(34-40)44-18-10-12-20-52(44)62(54)2;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;3-36H,1-2H3;1-34,59-60H;2*1-2H3
InChIKeyUZMXFXZIRRPXDK-UHFFFAOYSA-N
XLogP87.60
TPSA113.36 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms314
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004197.40
LogP ≤ 587.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

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-bis(9-methylcarbazol-3-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

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CID 117726302

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-bis(9-methylcarbazol-3-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-bis(9-methylcarbazol-3-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 165080254) 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-bis(9-methylcarbazol-3-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-bis(9-methylcarbazol-3-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-bis(9-methylcarbazol-3-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.Cn1c2ccccc2c2cc(N(c3ccccc3)c3ccc4c(c3)sc3ccc5c(ccc6sc7cc(N(c8ccccc8)c8ccc9c(c8)c8ccccc8n9C)ccc7c65)c34)ccc21.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-bis(9-methylcarbazol-3-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 UZMXFXZIRRPXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H48N4O2S2.C82H48N4S4.C60H40N4S2.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;1-61-51-19-11-9-17-43(51)49-33-39(23-29-53(49)61)63(37-13-5-3-6-14-37)41-21-25-47-57(35-41)65-55-31-27-46-45(59(47)55)28-32-56-60(46)48-26-22-42(36-58(48)66-56)64(38-15-7-4-8-16-38)40-24-30-54-50(34-40)44-18-10-12-20-52(44)62(54)2;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;3-36H,1-2H3;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-bis(9-methylcarbazol-3-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-bis(9-methylcarbazol-3-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 4197.40 g/mol, XLogP of 87.60, 28 rotatable bonds, 2 hydrogen bond donors, and 26 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-bis(9-methylcarbazol-3-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 165080254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).