25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(3-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-propan-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine

C318H252N8O8 — CID 158896691

IUPAC25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(3-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-propan-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
SMILESCC(C)(C)C1(C(C)(C)C)c2cc3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)ccc3cc2-c2c1c1ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3ccccc34)cc1c1ccccc21.CC(C)(C)C1(C(C)(C)C)c2cc3cc(N(c4cccc(-c5ccccc5)c4)c4cccc5c4oc4ccccc45)ccc3cc2-c2c1c1ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3oc3ccccc34)cc1c1ccccc21.CC(C)(C)C1(C(C)(C)C)c2cc3cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)ccc3cc2-c2c1c1ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)cc1c1ccccc21.CC(C)c1ccc(N(c2ccc3cc4c(cc3c2)C(C(C)(C)C)(C(C)(C)C)c2c-4c3ccccc3c3cc(N(c4ccc(C(C)C)cc4)c4cccc5c4oc4ccccc45)ccc23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/3C81H62N2O2.C75H66N2O2/c1-79(2,3)81(80(4,5)6)68-49-54-47-55(82(69-37-19-15-29-57(69)51-25-9-7-10-26-51)71-39-23-35-64-60-32-17-21-41-73(60)84-77(64)71)44-43-53(54)48-67(68)75-62-34-14-13-31-59(62)66-50-56(45-46-63(66)76(75)81)83(70-38-20-16-30-58(70)52-27-11-8-12-28-52)72-40-24-36-65-61-33-18-22-42-74(61)85-78(65)72;1-79(2,3)81(80(4,5)6)70-49-56-47-59(82(57-29-19-27-53(45-57)51-23-9-7-10-24-51)71-37-21-35-66-62-32-15-17-39-73(62)84-77(66)71)42-41-55(56)48-69(70)75-64-34-14-13-31-61(64)68-50-60(43-44-65(68)76(75)81)83(58-30-20-28-54(46-58)52-25-11-8-12-26-52)72-38-22-36-67-63-33-16-18-40-74(63)85-78(67)72;1-79(2,3)81(80(4,5)6)70-49-56-47-59(82(57-40-35-53(36-41-57)51-21-9-7-10-22-51)71-31-19-29-66-62-26-15-17-33-73(62)84-77(66)71)44-39-55(56)48-69(70)75-64-28-14-13-25-61(64)68-50-60(45-46-65(68)76(75)81)83(58-42-37-54(38-43-58)52-23-11-8-12-24-52)72-32-20-30-67-63-27-16-18-34-74(63)85-78(67)72;1-45(2)47-29-34-51(35-30-47)76(65-25-17-23-60-56-20-13-15-27-67(56)78-71(60)65)53-38-33-49-42-63-64(43-50(49)41-53)75(73(5,6)7,74(8,9)10)70-59-40-39-54(44-62(59)55-19-11-12-22-58(55)69(63)70)77(52-36-31-48(32-37-52)46(3)4)66-26-18-24-61-57-21-14-16-28-68(57)79-72(61)66/h3*7-50H,1-6H3;11-46H,1-10H3
InChIKeyJEXOPADPHNSSLB-UHFFFAOYSA-N
MW4313.56 g/mol
LogP93.22
Rot. Bonds32

About 25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(3-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-propan-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine

25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(3-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-propan-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine (PubChem CID 158896691) has the molecular formula C318H252N8O8 and a molecular weight of 4313.56 g/mol. Its IUPAC name is 25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(3-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-propan-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine.

Molecular Properties

Compound Name25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(3-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-propan-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
PubChem CID158896691
Molecular FormulaC318H252N8O8
Molecular Weight4313.56 g/mol
Exact Mass4309.96
IUPAC Name25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(3-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-propan-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
SMILESCC(C)(C)C1(C(C)(C)C)c2cc3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)ccc3cc2-c2c1c1ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3ccccc34)cc1c1ccccc21.CC(C)(C)C1(C(C)(C)C)c2cc3cc(N(c4cccc(-c5ccccc5)c4)c4cccc5c4oc4ccccc45)ccc3cc2-c2c1c1ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3oc3ccccc34)cc1c1ccccc21.CC(C)(C)C1(C(C)(C)C)c2cc3cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)ccc3cc2-c2c1c1ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)cc1c1ccccc21.CC(C)c1ccc(N(c2ccc3cc4c(cc3c2)C(C(C)(C)C)(C(C)(C)C)c2c-4c3ccccc3c3cc(N(c4ccc(C(C)C)cc4)c4cccc5c4oc4ccccc45)ccc23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/3C81H62N2O2.C75H66N2O2/c1-79(2,3)81(80(4,5)6)68-49-54-47-55(82(69-37-19-15-29-57(69)51-25-9-7-10-26-51)71-39-23-35-64-60-32-17-21-41-73(60)84-77(64)71)44-43-53(54)48-67(68)75-62-34-14-13-31-59(62)66-50-56(45-46-63(66)76(75)81)83(70-38-20-16-30-58(70)52-27-11-8-12-28-52)72-40-24-36-65-61-33-18-22-42-74(61)85-78(65)72;1-79(2,3)81(80(4,5)6)70-49-56-47-59(82(57-29-19-27-53(45-57)51-23-9-7-10-24-51)71-37-21-35-66-62-32-15-17-39-73(62)84-77(66)71)42-41-55(56)48-69(70)75-64-34-14-13-31-61(64)68-50-60(43-44-65(68)76(75)81)83(58-30-20-28-54(46-58)52-25-11-8-12-26-52)72-38-22-36-67-63-33-16-18-40-74(63)85-78(67)72;1-79(2,3)81(80(4,5)6)70-49-56-47-59(82(57-40-35-53(36-41-57)51-21-9-7-10-22-51)71-31-19-29-66-62-26-15-17-33-73(62)84-77(66)71)44-39-55(56)48-69(70)75-64-28-14-13-25-61(64)68-50-60(45-46-65(68)76(75)81)83(58-42-37-54(38-43-58)52-23-11-8-12-24-52)72-32-20-30-67-63-27-16-18-34-74(63)85-78(67)72;1-45(2)47-29-34-51(35-30-47)76(65-25-17-23-60-56-20-13-15-27-67(56)78-71(60)65)53-38-33-49-42-63-64(43-50(49)41-53)75(73(5,6)7,74(8,9)10)70-59-40-39-54(44-62(59)55-19-11-12-22-58(55)69(63)70)77(52-36-31-48(32-37-52)46(3)4)66-26-18-24-61-57-21-14-16-28-68(57)79-72(61)66/h3*7-50H,1-6H3;11-46H,1-10H3
InChIKeyJEXOPADPHNSSLB-UHFFFAOYSA-N
XLogP93.22
TPSA131.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds32
Heavy Atoms334
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004313.56
LogP ≤ 593.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(3-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-propan-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine with MolForge

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Related Compounds

25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-2-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
CID 121431018
25,25-ditert-butyl-5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
CID 121431025
9-N',17-N'-di(dibenzofuran-4-yl)-9-N',17-N'-bis(4-propan-2-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine
CID 137492809
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
5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
CID 140725512
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
CID 159224268
5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-phenylphenyl)-25,25-bis(trimethylsilyl)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-di(dibenzofuran-4-yl)-5-N,20-N-bis(3-phenylphenyl)-25,25-bis(trimethylsilyl)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-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-phenylphenyl)-25,25-bis(trimethylsilyl)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-di(dibenzofuran-4-yl)-5-N-(4-methylphenyl)-25,25-bis(trimethylsilyl)-20-N-(4-trimethylsilylphenyl)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 158434812
17-N-[2-(4-tert-butylphenyl)phenyl]-17-N-(2-phenylphenyl)-7-N-(3-phenylphenyl)-7-N-[2-(4-propan-2-ylphenyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753253
N-dibenzofuran-4-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-4-amine;N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine;6-phenyl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 157337291
N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 90140356
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566139
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172501495

Frequently Asked Questions

What is the IUPAC name of 25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(3-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-propan-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?
The IUPAC name of 25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(3-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-propan-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine (CID 158896691) is 25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(3-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-propan-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine.
What is the SMILES notation for 25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(3-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-propan-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?
The canonical SMILES for 25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(3-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-propan-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine is CC(C)(C)C1(C(C)(C)C)c2cc3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)ccc3cc2-c2c1c1ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3ccccc34)cc1c1ccccc21.CC(C)(C)C1(C(C)(C)C)c2cc3cc(N(c4cccc(-c5ccccc5)c4)c4cccc5c4oc4ccccc45)ccc3cc2-c2c1c1ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3oc3ccccc34)cc1c1ccccc21.CC(C)(C)C1(C(C)(C)C)c2cc3cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)ccc3cc2-c2c1c1ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)cc1c1ccccc21.CC(C)c1ccc(N(c2ccc3cc4c(cc3c2)C(C(C)(C)C)(C(C)(C)C)c2c-4c3ccccc3c3cc(N(c4ccc(C(C)C)cc4)c4cccc5c4oc4ccccc45)ccc23)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(3-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-propan-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?
The InChIKey is JEXOPADPHNSSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C81H62N2O2.C75H66N2O2/c1-79(2,3)81(80(4,5)6)68-49-54-47-55(82(69-37-19-15-29-57(69)51-25-9-7-10-26-51)71-39-23-35-64-60-32-17-21-41-73(60)84-77(64)71)44-43-53(54)48-67(68)75-62-34-14-13-31-59(62)66-50-56(45-46-63(66)76(75)81)83(70-38-20-16-30-58(70)52-27-11-8-12-28-52)72-40-24-36-65-61-33-18-22-42-74(61)85-78(65)72;1-79(2,3)81(80(4,5)6)70-49-56-47-59(82(57-29-19-27-53(45-57)51-23-9-7-10-24-51)71-37-21-35-66-62-32-15-17-39-73(62)84-77(66)71)42-41-55(56)48-69(70)75-64-34-14-13-31-61(64)68-50-60(43-44-65(68)76(75)81)83(58-30-20-28-54(46-58)52-25-11-8-12-26-52)72-38-22-36-67-63-33-16-18-40-74(63)85-78(67)72;1-79(2,3)81(80(4,5)6)70-49-56-47-59(82(57-40-35-53(36-41-57)51-21-9-7-10-22-51)71-31-19-29-66-62-26-15-17-33-73(62)84-77(66)71)44-39-55(56)48-69(70)75-64-28-14-13-25-61(64)68-50-60(45-46-65(68)76(75)81)83(58-42-37-54(38-43-58)52-23-11-8-12-24-52)72-32-20-30-67-63-27-16-18-34-74(63)85-78(67)72;1-45(2)47-29-34-51(35-30-47)76(65-25-17-23-60-56-20-13-15-27-67(56)78-71(60)65)53-38-33-49-42-63-64(43-50(49)41-53)75(73(5,6)7,74(8,9)10)70-59-40-39-54(44-62(59)55-19-11-12-22-58(55)69(63)70)77(52-36-31-48(32-37-52)46(3)4)66-26-18-24-61-57-21-14-16-28-68(57)79-72(61)66/h3*7-50H,1-6H3;11-46H,1-10H3.
What are the key properties of 25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(3-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-propan-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?
25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(3-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-propan-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine has a molecular weight of 4313.56 g/mol, XLogP of 93.22, 32 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(3-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-propan-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine is sourced from PubChem (CID 158896691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).