5-N,22-N-di(dibenzofuran-1-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-2-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-3-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine

C292H184N8O8 — CID 160555614

IUPAC5-N,22-N-di(dibenzofuran-1-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-2-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-3-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccccc3)c3ccc5c(c3)oc3ccccc35)c3ccccc23)C4(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccccc3)c3cccc5c3oc3ccccc35)c3ccccc23)C4(c2ccccc2)c2ccccc2)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccccc3)c3cccc5oc6ccccc6c35)c3ccccc23)C4(c2ccccc2)c2ccccc2)c2cccc3oc4ccccc4c23)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccccc3)c3ccc5oc6ccccc6c5c3)c3ccccc23)C4(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C73H46N2O2/c1-5-23-47(24-6-1)73(48-25-7-2-8-26-48)62-46-65(75(50-29-11-4-12-30-50)64-40-22-38-60-55-34-18-20-42-67(55)77-72(60)64)53-32-14-16-36-57(53)68(62)69-56-35-15-13-31-52(56)61-45-51(43-44-58(61)70(69)73)74(49-27-9-3-10-28-49)63-39-21-37-59-54-33-17-19-41-66(54)76-71(59)63;1-5-23-47(24-6-1)73(48-25-7-2-8-26-48)60-46-63(75(50-29-11-4-12-30-50)62-38-22-42-67-70(62)58-36-18-20-40-65(58)77-67)53-32-14-16-34-55(53)68(60)71-54-33-15-13-31-52(54)59-45-51(43-44-56(59)72(71)73)74(49-27-9-3-10-28-49)61-37-21-41-66-69(61)57-35-17-19-39-64(57)76-66;1-5-21-47(22-6-1)73(48-23-7-2-8-24-48)64-46-65(75(50-27-11-4-12-28-50)53-38-41-59-57-32-18-20-36-67(57)77-69(59)45-53)55-30-14-16-34-61(55)70(64)71-60-33-15-13-29-54(60)63-43-51(39-42-62(63)72(71)73)74(49-25-9-3-10-26-49)52-37-40-58-56-31-17-19-35-66(56)76-68(58)44-52;1-5-21-47(22-6-1)73(48-23-7-2-8-24-48)64-46-65(75(50-27-11-4-12-28-50)53-39-42-69-63(45-53)57-32-18-20-36-67(57)77-69)55-30-14-16-34-59(55)70(64)71-58-33-15-13-29-54(58)61-43-51(37-40-60(61)72(71)73)74(49-25-9-3-10-26-49)52-38-41-68-62(44-52)56-31-17-19-35-66(56)76-68/h4*1-46H
InChIKeyQYQJWXZXICFOBB-UHFFFAOYSA-N
MW3932.73 g/mol
LogP80.99
Rot. Bonds32

About 5-N,22-N-di(dibenzofuran-1-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-2-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-3-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine

5-N,22-N-di(dibenzofuran-1-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-2-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-3-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine (PubChem CID 160555614) has the molecular formula C292H184N8O8 and a molecular weight of 3932.73 g/mol. Its IUPAC name is 5-N,22-N-di(dibenzofuran-1-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-2-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-3-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine.

Molecular Properties

Compound Name5-N,22-N-di(dibenzofuran-1-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-2-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-3-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
PubChem CID160555614
Molecular FormulaC292H184N8O8
Molecular Weight3932.73 g/mol
Exact Mass3929.42
IUPAC Name5-N,22-N-di(dibenzofuran-1-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-2-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-3-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccccc3)c3ccc5c(c3)oc3ccccc35)c3ccccc23)C4(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccccc3)c3cccc5c3oc3ccccc35)c3ccccc23)C4(c2ccccc2)c2ccccc2)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccccc3)c3cccc5oc6ccccc6c35)c3ccccc23)C4(c2ccccc2)c2ccccc2)c2cccc3oc4ccccc4c23)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccccc3)c3ccc5oc6ccccc6c5c3)c3ccccc23)C4(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C73H46N2O2/c1-5-23-47(24-6-1)73(48-25-7-2-8-26-48)62-46-65(75(50-29-11-4-12-30-50)64-40-22-38-60-55-34-18-20-42-67(55)77-72(60)64)53-32-14-16-36-57(53)68(62)69-56-35-15-13-31-52(56)61-45-51(43-44-58(61)70(69)73)74(49-27-9-3-10-28-49)63-39-21-37-59-54-33-17-19-41-66(54)76-71(59)63;1-5-23-47(24-6-1)73(48-25-7-2-8-26-48)60-46-63(75(50-29-11-4-12-30-50)62-38-22-42-67-70(62)58-36-18-20-40-65(58)77-67)53-32-14-16-34-55(53)68(60)71-54-33-15-13-31-52(54)59-45-51(43-44-56(59)72(71)73)74(49-27-9-3-10-28-49)61-37-21-41-66-69(61)57-35-17-19-39-64(57)76-66;1-5-21-47(22-6-1)73(48-23-7-2-8-24-48)64-46-65(75(50-27-11-4-12-28-50)53-38-41-59-57-32-18-20-36-67(57)77-69(59)45-53)55-30-14-16-34-61(55)70(64)71-60-33-15-13-29-54(60)63-43-51(39-42-62(63)72(71)73)74(49-25-9-3-10-26-49)52-37-40-58-56-31-17-19-35-66(56)76-68(58)44-52;1-5-21-47(22-6-1)73(48-23-7-2-8-24-48)64-46-65(75(50-27-11-4-12-28-50)53-39-42-69-63(45-53)57-32-18-20-36-67(57)77-69)55-30-14-16-34-59(55)70(64)71-58-33-15-13-29-54(58)61-43-51(37-40-60(61)72(71)73)74(49-25-9-3-10-26-49)52-38-41-68-62(44-52)56-31-17-19-35-66(56)76-68/h4*1-46H
InChIKeyQYQJWXZXICFOBB-UHFFFAOYSA-N
XLogP80.99
TPSA131.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds32
Heavy Atoms308
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003932.73
LogP ≤ 580.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 5-N,22-N-di(dibenzofuran-1-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-2-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-3-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine with MolForge

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Related Compounds

9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90140171
25,25-ditert-butyl-5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
CID 121430777
N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzofuran-1-amine
CID 140962533
6-N-dibenzofuran-2-yl-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 167208512
N-phenyl-N-[4-(1,2,2-triphenylethenyl)phenyl]dibenzofuran-1-amine;N-phenyl-N-[4-(1,2,2-triphenylethenyl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-(1,2,2-triphenylethenyl)phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-(1,2,2-triphenylethenyl)phenyl]dibenzofuran-4-amine
CID 161342584
5-N,22-N-di(dibenzothiophen-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
CID 121430725
N-(25,25-dimethyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)-N-phenyldibenzofuran-4-amine
CID 121431505
7-N-(1-chlorodibenzofuran-3-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine
CID 146551038
1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine
CID 146573998
N-dibenzofuran-3-yl-N-triphenylen-2-yldibenzofuran-4-amine
CID 166845761
N-[4-[4-[dibenzofuran-2-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-2-amine;1-N,3-N-di(dibenzofuran-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,4-N-di(dibenzofuran-3-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-di(dibenzofuran-4-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 157328042
9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine
CID 155172997

Frequently Asked Questions

What is the IUPAC name of 5-N,22-N-di(dibenzofuran-1-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-2-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-3-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine?
The IUPAC name of 5-N,22-N-di(dibenzofuran-1-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-2-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-3-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine (CID 160555614) is 5-N,22-N-di(dibenzofuran-1-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-2-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-3-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine.
What is the SMILES notation for 5-N,22-N-di(dibenzofuran-1-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-2-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-3-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine?
The canonical SMILES for 5-N,22-N-di(dibenzofuran-1-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-2-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-3-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine is c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccccc3)c3ccc5c(c3)oc3ccccc35)c3ccccc23)C4(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccccc3)c3cccc5c3oc3ccccc35)c3ccccc23)C4(c2ccccc2)c2ccccc2)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccccc3)c3cccc5oc6ccccc6c35)c3ccccc23)C4(c2ccccc2)c2ccccc2)c2cccc3oc4ccccc4c23)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccccc3)c3ccc5oc6ccccc6c5c3)c3ccccc23)C4(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5-N,22-N-di(dibenzofuran-1-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-2-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-3-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine?
The InChIKey is QYQJWXZXICFOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C73H46N2O2/c1-5-23-47(24-6-1)73(48-25-7-2-8-26-48)62-46-65(75(50-29-11-4-12-30-50)64-40-22-38-60-55-34-18-20-42-67(55)77-72(60)64)53-32-14-16-36-57(53)68(62)69-56-35-15-13-31-52(56)61-45-51(43-44-58(61)70(69)73)74(49-27-9-3-10-28-49)63-39-21-37-59-54-33-17-19-41-66(54)76-71(59)63;1-5-23-47(24-6-1)73(48-25-7-2-8-26-48)60-46-63(75(50-29-11-4-12-30-50)62-38-22-42-67-70(62)58-36-18-20-40-65(58)77-67)53-32-14-16-34-55(53)68(60)71-54-33-15-13-31-52(54)59-45-51(43-44-56(59)72(71)73)74(49-27-9-3-10-28-49)61-37-21-41-66-69(61)57-35-17-19-39-64(57)76-66;1-5-21-47(22-6-1)73(48-23-7-2-8-24-48)64-46-65(75(50-27-11-4-12-28-50)53-38-41-59-57-32-18-20-36-67(57)77-69(59)45-53)55-30-14-16-34-61(55)70(64)71-60-33-15-13-29-54(60)63-43-51(39-42-62(63)72(71)73)74(49-25-9-3-10-26-49)52-37-40-58-56-31-17-19-35-66(56)76-68(58)44-52;1-5-21-47(22-6-1)73(48-23-7-2-8-24-48)64-46-65(75(50-27-11-4-12-28-50)53-39-42-69-63(45-53)57-32-18-20-36-67(57)77-69)55-30-14-16-34-59(55)70(64)71-58-33-15-13-29-54(58)61-43-51(37-40-60(61)72(71)73)74(49-25-9-3-10-26-49)52-38-41-68-62(44-52)56-31-17-19-35-66(56)76-68/h4*1-46H.
What are the key properties of 5-N,22-N-di(dibenzofuran-1-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-2-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-3-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine?
5-N,22-N-di(dibenzofuran-1-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-2-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-3-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine has a molecular weight of 3932.73 g/mol, XLogP of 80.99, 32 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,22-N-di(dibenzofuran-1-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-2-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-3-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine is sourced from PubChem (CID 160555614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).