14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine

C413H287F5N18O3S2 — CID 161364197

About 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine

14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine (PubChem CID 161364197) has the molecular formula C413H287F5N18O3S2 and a molecular weight of 5719.15 g/mol. Its IUPAC name is 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine.

Molecular Properties

• Compound Name: 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine
• PubChem CID: 161364197
• Molecular Formula: C413H287F5N18O3S2
• Molecular Weight: 5719.15 g/mol
• Exact Mass: 5714.28
• IUPAC Name: 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine
• SMILES: CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4c5c(N(c6ccccc6)c6ccc7c(c6)-c6ccccc6C7(C)C)c6c(cc5n(-c5cccc(-c7ccccc7)c5)c4c3)-c3c(ccc4ccccc34)C6(C)C)ccc21.Cc1ccc(N(c2ccccc2)c2c3c(cc4c2sc2cc(N(c5ccccc5)c5ccc(C(F)(F)F)c6ccccc56)ccc24)C(C)(C)c2c-3ccc3ccccc23)c2ccccc12.Fc1cc(-c2ccccc2)ccc1N(c1ccccc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc3c(oc4c5ccccc5ccc34)c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3F)c1-2.[2H]c1c([2H])c([2H])c(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc4c(c(N(c5ccc(C)cc5)c5c([2H])c([2H])c([2H])c([2H])c5[2H])c2-3)C(C)(C)c2ccc3ccccc3c2-4)c([2H])c1[2H].c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc4c(sc5c6ccccc6ccc45)c(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)c2-3)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc(N(c2ccc3c4c(ccc3c2)-c2c(cc3c5ccccc5n(-c5ccccc5)c3c2N(c2ccccc2)c2ncccc2-c2ccccn2)C42c3ccccc3-c3ccccc32)c2ncccc2-c2ccccn2)cc1
• InChI: InChI=1S/C85H65N3.C73H47N7.C71H46F2N2O.C71H42N2O2S.C59H41F3N2S.C54H46N2/c1-83(2)72-38-20-18-36-66(72)69-50-62(42-46-74(69)83)86(60-33-22-29-57(48-60)54-24-10-7-11-25-54)64-41-44-68-77(52-64)88(61-34-23-30-58(49-61)55-26-12-8-13-27-55)78-53-71-79-65-35-17-16-28-56(65)40-45-76(79)85(5,6)81(71)82(80(68)78)87(59-31-14-9-15-32-59)63-43-47-75-70(51-63)67-37-19-21-39-73(67)84(75,3)4;1-4-22-49(23-5-1)78(71-57(31-20-44-76-71)64-35-16-18-42-74-64)52-39-41-53-48(46-52)38-40-59-67-63(73(68(53)59)61-33-13-10-28-54(61)55-29-11-14-34-62(55)73)47-60-56-30-12-15-37-66(56)79(50-24-6-2-7-25-50)69(60)70(67)80(51-26-8-3-9-27-51)72-58(32-21-45-77-72)65-36-17-19-43-75-65;72-63-32-18-19-33-65(63)75(55-38-34-49(35-39-55)47-20-6-1-7-21-47)68-67-59-42-40-56(74(54-29-14-5-15-30-54)66-43-37-51(44-64(66)73)48-22-8-2-9-23-48)45-61(59)71(52-25-10-3-11-26-52,53-27-12-4-13-28-53)62(67)46-60-58-41-36-50-24-16-17-31-57(50)69(58)76-70(60)68;1-3-18-44(19-4-1)72(47-32-36-54-52-25-11-15-29-63(52)74-65(54)40-47)46-34-38-57-61(39-46)71(59-27-13-9-23-50(59)51-24-10-14-28-60(51)71)62-42-58-56-35-31-43-17-7-8-22-49(43)69(56)76-70(58)68(67(57)62)73(45-20-5-2-6-21-45)48-33-37-55-53-26-12-16-30-64(53)75-66(55)41-48;1-36-26-32-52(44-24-14-12-21-41(36)44)64(39-19-8-5-9-20-39)56-54-47-29-27-37-16-10-11-22-42(37)55(47)58(2,3)50(54)35-48-46-30-28-40(34-53(46)65-57(48)56)63(38-17-6-4-7-18-38)51-33-31-49(59(60,61)62)43-23-13-15-25-45(43)51;1-35-21-26-40(27-22-35)55(38-16-9-7-10-17-38)42-30-31-44-47(33-42)53(3,4)48-34-45-49-43-20-14-13-15-37(43)25-32-46(49)54(5,6)51(45)52(50(44)48)56(39-18-11-8-12-19-39)41-28-23-36(2)24-29-41/h7-53H,1-6H3;1-47H;1-46H;1-42H;4-35H,1-3H3;7-34H,1-6H3/i;;;;;7D,8D,9D,10D,11D,12D,16D,17D,18D,19D
• InChIKey: VPPCOELCHCCGFK-JCWSPICLSA-N
• XLogP: 114.30
• TPSA: 139.72 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 46
• Heavy Atoms: 441
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5719.15
LogP ≤ 5	114.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine?

The IUPAC name of 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine (CID 161364197) is 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine.

What is the SMILES notation for 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine?

The canonical SMILES for 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine is CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4c5c(N(c6ccccc6)c6ccc7c(c6)-c6ccccc6C7(C)C)c6c(cc5n(-c5cccc(-c7ccccc7)c5)c4c3)-c3c(ccc4ccccc34)C6(C)C)ccc21.Cc1ccc(N(c2ccccc2)c2c3c(cc4c2sc2cc(N(c5ccccc5)c5ccc(C(F)(F)F)c6ccccc56)ccc24)C(C)(C)c2c-3ccc3ccccc23)c2ccccc12.Fc1cc(-c2ccccc2)ccc1N(c1ccccc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc3c(oc4c5ccccc5ccc34)c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3F)c1-2.[2H]c1c([2H])c([2H])c(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc4c(c(N(c5ccc(C)cc5)c5c([2H])c([2H])c([2H])c([2H])c5[2H])c2-3)C(C)(C)c2ccc3ccccc3c2-4)c([2H])c1[2H].c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc4c(sc5c6ccccc6ccc45)c(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)c2-3)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc(N(c2ccc3c4c(ccc3c2)-c2c(cc3c5ccccc5n(-c5ccccc5)c3c2N(c2ccccc2)c2ncccc2-c2ccccn2)C42c3ccccc3-c3ccccc32)c2ncccc2-c2ccccn2)cc1.

What is the InChIKey of 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine?

The InChIKey is VPPCOELCHCCGFK-JCWSPICLSA-N. The full InChI is InChI=1S/C85H65N3.C73H47N7.C71H46F2N2O.C71H42N2O2S.C59H41F3N2S.C54H46N2/c1-83(2)72-38-20-18-36-66(72)69-50-62(42-46-74(69)83)86(60-33-22-29-57(48-60)54-24-10-7-11-25-54)64-41-44-68-77(52-64)88(61-34-23-30-58(49-61)55-26-12-8-13-27-55)78-53-71-79-65-35-17-16-28-56(65)40-45-76(79)85(5,6)81(71)82(80(68)78)87(59-31-14-9-15-32-59)63-43-47-75-70(51-63)67-37-19-21-39-73(67)84(75,3)4;1-4-22-49(23-5-1)78(71-57(31-20-44-76-71)64-35-16-18-42-74-64)52-39-41-53-48(46-52)38-40-59-67-63(73(68(53)59)61-33-13-10-28-54(61)55-29-11-14-34-62(55)73)47-60-56-30-12-15-37-66(56)79(50-24-6-2-7-25-50)69(60)70(67)80(51-26-8-3-9-27-51)72-58(32-21-45-77-72)65-36-17-19-43-75-65;72-63-32-18-19-33-65(63)75(55-38-34-49(35-39-55)47-20-6-1-7-21-47)68-67-59-42-40-56(74(54-29-14-5-15-30-54)66-43-37-51(44-64(66)73)48-22-8-2-9-23-48)45-61(59)71(52-25-10-3-11-26-52,53-27-12-4-13-28-53)62(67)46-60-58-41-36-50-24-16-17-31-57(50)69(58)76-70(60)68;1-3-18-44(19-4-1)72(47-32-36-54-52-25-11-15-29-63(52)74-65(54)40-47)46-34-38-57-61(39-46)71(59-27-13-9-23-50(59)51-24-10-14-28-60(51)71)62-42-58-56-35-31-43-17-7-8-22-49(43)69(56)76-70(58)68(67(57)62)73(45-20-5-2-6-21-45)48-33-37-55-53-26-12-16-30-64(53)75-66(55)41-48;1-36-26-32-52(44-24-14-12-21-41(36)44)64(39-19-8-5-9-20-39)56-54-47-29-27-37-16-10-11-22-42(37)55(47)58(2,3)50(54)35-48-46-30-28-40(34-53(46)65-57(48)56)63(38-17-6-4-7-18-38)51-33-31-49(59(60,61)62)43-23-13-15-25-45(43)51;1-35-21-26-40(27-22-35)55(38-16-9-7-10-17-38)42-30-31-44-47(33-42)53(3,4)48-34-45-49-43-20-14-13-15-37(43)25-32-46(49)54(5,6)51(45)52(50(44)48)56(39-18-11-8-12-19-39)41-28-23-36(2)24-29-41/h7-53H,1-6H3;1-47H;1-46H;1-42H;4-35H,1-3H3;7-34H,1-6H3/i;;;;;7D,8D,9D,10D,11D,12D,16D,17D,18D,19D.

What are the key properties of 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine?

14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine has a molecular weight of 5719.15 g/mol, XLogP of 114.30, 46 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;14-N-(2-fluorophenyl)-19-N-(2-fluoro-4-phenylphenyl)-19-N,22,22-triphenyl-14-N-(4-phenylphenyl)-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;12,12,22,22-tetramethyl-14-N,19-N-bis(4-methylphenyl)-14-N,19-N-bis(2,3,4,5,6-pentadeuteriophenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine is sourced from PubChem (CID 161364197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).