About 5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-bis(6-methyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-di(dibenzothiophen-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(6-propan-2-yldibenzofuran-4-yl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-bis(6-methyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-di(dibenzothiophen-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(6-propan-2-yldibenzofuran-4-yl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine (PubChem CID 157158852) has the molecular formula C304H208N8O6S2
and a molecular weight of 4133.19 g/mol. Its IUPAC name is 5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-bis(6-methyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-di(dibenzothiophen-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(6-propan-2-yldibenzofuran-4-yl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine.
Frequently Asked Questions
What is the IUPAC name of 5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-bis(6-methyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-di(dibenzothiophen-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(6-propan-2-yldibenzofuran-4-yl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine?
The IUPAC name of 5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-bis(6-methyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-di(dibenzothiophen-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(6-propan-2-yldibenzofuran-4-yl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine (CID 157158852) is 5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-bis(6-methyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-di(dibenzothiophen-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(6-propan-2-yldibenzofuran-4-yl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine.
What is the SMILES notation for 5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-bis(6-methyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-di(dibenzothiophen-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(6-propan-2-yldibenzofuran-4-yl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine?
The canonical SMILES for 5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-bis(6-methyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-di(dibenzothiophen-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(6-propan-2-yldibenzofuran-4-yl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine is CC(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c5c(ccc4c3)-c3c(c4ccc(N(c6ccccc6)c6cccc7c6oc6c(C(C)C)cccc67)cc4c4ccccc34)C5(c3ccccc3)c3ccccc3)cccc12.CCc1cccc2c1oc1c(N(c3ccccc3)c3ccc4c5c(ccc4c3)-c3c(c4ccc(N(c6ccccc6)c6cccc7c6oc6c(CC)cccc67)cc4c4ccccc34)C5(c3ccccc3)c3ccccc3)cccc12.Cc1cccc2c1oc1c(N(c3ccccc3)c3ccc4c5c(ccc4c3)-c3c(c4ccc(N(c6ccccc6)c6cccc7c6oc6c(C)cccc67)cc4c4ccccc34)C5(c3ccccc3)c3ccccc3)cccc12.c1ccc(N(c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5cccc6c5sc5ccccc56)cc3c3ccccc23)C4(c2ccccc2)c2ccccc2)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of 5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-bis(6-methyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-di(dibenzothiophen-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(6-propan-2-yldibenzofuran-4-yl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine?
The InChIKey is AMDCCIZZOMXPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H58N2O2.C77H54N2O2.C75H50N2O2.C73H46N2S2/c1-49(2)58-33-19-35-64-66-37-21-39-70(77(66)82-75(58)64)80(54-27-13-7-14-28-54)56-42-45-60-51(47-56)41-44-68-72-62-32-18-17-31-61(62)69-48-57(43-46-63(69)74(72)79(73(60)68,52-23-9-5-10-24-52)53-25-11-6-12-26-53)81(55-29-15-8-16-30-55)71-40-22-38-67-65-36-20-34-59(50(3)4)76(65)83-78(67)71;1-3-49-23-19-35-62-64-37-21-39-68(75(64)80-73(49)62)78(54-29-13-7-14-30-54)56-42-45-58-51(47-56)41-44-66-70-60-34-18-17-33-59(60)67-48-57(43-46-61(67)72(70)77(71(58)66,52-25-9-5-10-26-52)53-27-11-6-12-28-53)79(55-31-15-8-16-32-55)69-40-22-38-65-63-36-20-24-50(4-2)74(63)81-76(65)69;1-47-21-17-33-60-62-35-19-37-66(73(62)78-71(47)60)76(52-27-11-5-12-28-52)54-40-43-56-49(45-54)39-42-64-68-58-32-16-15-31-57(58)65-46-55(41-44-59(65)70(68)75(69(56)64,50-23-7-3-8-24-50)51-25-9-4-10-26-51)77(53-29-13-6-14-30-53)67-38-20-36-63-61-34-18-22-48(2)72(61)79-74(63)67;1-5-21-48(22-6-1)73(49-23-7-2-8-24-49)69-54-43-40-52(74(50-25-9-3-10-26-50)64-35-19-33-60-56-30-15-17-37-66(56)76-71(60)64)45-47(54)39-42-62(69)68-58-32-14-13-29-55(58)63-46-53(41-44-59(63)70(68)73)75(51-27-11-4-12-28-51)65-36-20-34-61-57-31-16-18-38-67(57)77-72(61)65/h5-50H,1-4H3;5-48H,3-4H2,1-2H3;3-46H,1-2H3;1-46H.
What are the key properties of 5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-bis(6-methyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-di(dibenzothiophen-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(6-propan-2-yldibenzofuran-4-yl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine?
5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-bis(6-methyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-di(dibenzothiophen-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(6-propan-2-yldibenzofuran-4-yl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine has a molecular weight of 4133.19 g/mol, XLogP of 85.92, 36 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-bis(6-methyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-di(dibenzothiophen-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(6-propan-2-yldibenzofuran-4-yl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine is sourced from PubChem (CID 157158852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).