5-[4-[3-[2'-(5-acetamido-5-oxopentoxy)spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-acetylpentanamide;N-ethyl-5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxypentanamide;5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-(2,2,2-trifluoroethyl)pentanamide;N-[5-[4-[2-hydroxy-4-oxo-3-[2'-[5-(2,2,2-trifluoroethylamino)pentoxy]spiro[1,3-dihydroperimidine-2,9'-fluorene]-4-yl]cyclobut-2-en-1-ylidene]spiro[1H-perimidine-2,9'-fluorene]-2'-yl]oxypentyl]methanesulfonamide

C253H212F6N24O30S3 — CID 165022186

IUPAC5-[4-[3-[2'-(5-acetamido-5-oxopentoxy)spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-acetylpentanamide;N-ethyl-5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxypentanamide;5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-(2,2,2-trifluoroethyl)pentanamide;N-[5-[4-[2-hydroxy-4-oxo-3-[2'-[5-(2,2,2-trifluoroethylamino)pentoxy]spiro[1,3-dihydroperimidine-2,9'-fluorene]-4-yl]cyclobut-2-en-1-ylidene]spiro[1H-perimidine-2,9'-fluorene]-2'-yl]oxypentyl]methanesulfonamide
SMILESCC(=O)NC(=O)CCCCOc1ccc2c(c1)C1(N=c3c(=C4C(=O)C(c5ccc6cccc7c6c5NC5(N7)c6ccccc6-c6ccc(OCCCCC(=O)NC(C)=O)cc65)=C4O)ccc4cccc(c34)N1)c1ccccc1-2.CCNC(=O)CCCCOc1ccc2c(c1)C1(Nc3cccc4ccc(C5=C(O)C(=c6ccc7cccc8c7c6=NC6(N8)c7ccccc7-c7ccc(OCCCCC(=O)NS(C)(=O)=O)cc76)C5=O)c(c34)N1)c1ccccc1-2.CS(=O)(=O)NC(=O)CCCCOc1ccc2c(c1)C1(N=c3c(=C4C(=O)C(c5ccc6cccc7c6c5NC5(N7)c6ccccc6-c6ccc(OCCCCC(=O)NCC(F)(F)F)cc65)=C4O)ccc4cccc(c34)N1)c1ccccc1-2.CS(=O)(=O)NCCCCCOc1ccc2c(c1)C1(N=c3c(=C4C(=O)C(c5ccc6cccc7c6c5NC5(N7)c6ccccc6-c6ccc(OCCCCCNCC(F)(F)F)cc65)=C4O)ccc4cccc(c34)N1)c1ccccc1-2
InChIInChI=1S/C64H52N6O8.C63H51F3N6O8S.C63H55F3N6O6S.C63H54N6O8S/c1-35(71)65-53(73)21-7-9-31-77-39-25-29-43-41-15-3-5-17-47(41)63(49(43)33-39)67-51-19-11-13-37-23-27-45(59(69-63)55(37)51)57-61(75)58(62(57)76)46-28-24-38-14-12-20-52-56(38)60(46)70-64(68-52)48-18-6-4-16-42(48)44-30-26-40(34-50(44)64)78-32-10-8-22-54(74)66-36(2)72;1-81(77,78)72-52(74)21-7-9-31-80-38-25-29-42-40-15-3-5-17-46(40)63(48(42)33-38)69-50-19-11-13-36-23-27-44(58(71-63)54(36)50)56-59(75)55(60(56)76)43-26-22-35-12-10-18-49-53(35)57(43)70-62(68-49)45-16-4-2-14-39(45)41-28-24-37(32-47(41)62)79-30-8-6-20-51(73)67-34-61(64,65)66;1-79(75,76)68-31-9-3-11-33-78-40-25-29-44-42-17-5-7-19-48(42)63(50(44)35-40)70-52-21-13-15-38-23-27-46(58(72-63)54(38)52)56-59(73)55(60(56)74)45-26-22-37-14-12-20-51-53(37)57(45)71-62(69-51)47-18-6-4-16-41(47)43-28-24-39(34-49(43)62)77-32-10-2-8-30-67-36-61(64,65)66;1-3-64-52(70)22-8-10-32-76-38-26-30-42-40-16-4-6-18-46(40)62(48(42)34-38)65-50-20-12-14-36-24-28-44(58(67-62)54(36)50)56-60(72)57(61(56)73)45-29-25-37-15-13-21-51-55(37)59(45)68-63(66-51)47-19-7-5-17-41(47)43-31-27-39(35-49(43)63)77-33-11-9-23-53(71)69-78(2,74)75/h3-6,11-20,23-30,33-34,67-69,75H,7-10,21-22,31-32H2,1-2H3,(H,65,71,73)(H,66,72,74);2-5,10-19,22-29,32-33,68-70,75H,6-9,20-21,30-31,34H2,1H3,(H,67,73)(H,72,74);4-7,12-29,34-35,67-71,73H,2-3,8-11,30-33,36H2,1H3;4-7,12-21,24-31,34-35,65-67,72H,3,8-11,22-23,32-33H2,1-2H3,(H,64,70)(H,69,71)
InChIKeyRNDZEUYWHAKEBA-UHFFFAOYSA-N
MW4278.81 g/mol
LogP40.75
Rot. Bonds60

About 5-[4-[3-[2'-(5-acetamido-5-oxopentoxy)spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-acetylpentanamide;N-ethyl-5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxypentanamide;5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-(2,2,2-trifluoroethyl)pentanamide;N-[5-[4-[2-hydroxy-4-oxo-3-[2'-[5-(2,2,2-trifluoroethylamino)pentoxy]spiro[1,3-dihydroperimidine-2,9'-fluorene]-4-yl]cyclobut-2-en-1-ylidene]spiro[1H-perimidine-2,9'-fluorene]-2'-yl]oxypentyl]methanesulfonamide

5-[4-[3-[2'-(5-acetamido-5-oxopentoxy)spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-acetylpentanamide;N-ethyl-5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxypentanamide;5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-(2,2,2-trifluoroethyl)pentanamide;N-[5-[4-[2-hydroxy-4-oxo-3-[2'-[5-(2,2,2-trifluoroethylamino)pentoxy]spiro[1,3-dihydroperimidine-2,9'-fluorene]-4-yl]cyclobut-2-en-1-ylidene]spiro[1H-perimidine-2,9'-fluorene]-2'-yl]oxypentyl]methanesulfonamide (PubChem CID 165022186) has the molecular formula C253H212F6N24O30S3 and a molecular weight of 4278.81 g/mol. Its IUPAC name is 5-[4-[3-[2'-(5-acetamido-5-oxopentoxy)spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-acetylpentanamide;N-ethyl-5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxypentanamide;5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-(2,2,2-trifluoroethyl)pentanamide;N-[5-[4-[2-hydroxy-4-oxo-3-[2'-[5-(2,2,2-trifluoroethylamino)pentoxy]spiro[1,3-dihydroperimidine-2,9'-fluorene]-4-yl]cyclobut-2-en-1-ylidene]spiro[1H-perimidine-2,9'-fluorene]-2'-yl]oxypentyl]methanesulfonamide.

Molecular Properties

Compound Name5-[4-[3-[2'-(5-acetamido-5-oxopentoxy)spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-acetylpentanamide;N-ethyl-5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxypentanamide;5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-(2,2,2-trifluoroethyl)pentanamide;N-[5-[4-[2-hydroxy-4-oxo-3-[2'-[5-(2,2,2-trifluoroethylamino)pentoxy]spiro[1,3-dihydroperimidine-2,9'-fluorene]-4-yl]cyclobut-2-en-1-ylidene]spiro[1H-perimidine-2,9'-fluorene]-2'-yl]oxypentyl]methanesulfonamide
PubChem CID165022186
Molecular FormulaC253H212F6N24O30S3
Molecular Weight4278.81 g/mol
Exact Mass4275.49
IUPAC Name5-[4-[3-[2'-(5-acetamido-5-oxopentoxy)spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-acetylpentanamide;N-ethyl-5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxypentanamide;5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-(2,2,2-trifluoroethyl)pentanamide;N-[5-[4-[2-hydroxy-4-oxo-3-[2'-[5-(2,2,2-trifluoroethylamino)pentoxy]spiro[1,3-dihydroperimidine-2,9'-fluorene]-4-yl]cyclobut-2-en-1-ylidene]spiro[1H-perimidine-2,9'-fluorene]-2'-yl]oxypentyl]methanesulfonamide
SMILESCC(=O)NC(=O)CCCCOc1ccc2c(c1)C1(N=c3c(=C4C(=O)C(c5ccc6cccc7c6c5NC5(N7)c6ccccc6-c6ccc(OCCCCC(=O)NC(C)=O)cc65)=C4O)ccc4cccc(c34)N1)c1ccccc1-2.CCNC(=O)CCCCOc1ccc2c(c1)C1(Nc3cccc4ccc(C5=C(O)C(=c6ccc7cccc8c7c6=NC6(N8)c7ccccc7-c7ccc(OCCCCC(=O)NS(C)(=O)=O)cc76)C5=O)c(c34)N1)c1ccccc1-2.CS(=O)(=O)NC(=O)CCCCOc1ccc2c(c1)C1(N=c3c(=C4C(=O)C(c5ccc6cccc7c6c5NC5(N7)c6ccccc6-c6ccc(OCCCCC(=O)NCC(F)(F)F)cc65)=C4O)ccc4cccc(c34)N1)c1ccccc1-2.CS(=O)(=O)NCCCCCOc1ccc2c(c1)C1(N=c3c(=C4C(=O)C(c5ccc6cccc7c6c5NC5(N7)c6ccccc6-c6ccc(OCCCCCNCC(F)(F)F)cc65)=C4O)ccc4cccc(c34)N1)c1ccccc1-2
InChIInChI=1S/C64H52N6O8.C63H51F3N6O8S.C63H55F3N6O6S.C63H54N6O8S/c1-35(71)65-53(73)21-7-9-31-77-39-25-29-43-41-15-3-5-17-47(41)63(49(43)33-39)67-51-19-11-13-37-23-27-45(59(69-63)55(37)51)57-61(75)58(62(57)76)46-28-24-38-14-12-20-52-56(38)60(46)70-64(68-52)48-18-6-4-16-42(48)44-30-26-40(34-50(44)64)78-32-10-8-22-54(74)66-36(2)72;1-81(77,78)72-52(74)21-7-9-31-80-38-25-29-42-40-15-3-5-17-46(40)63(48(42)33-38)69-50-19-11-13-36-23-27-44(58(71-63)54(36)50)56-59(75)55(60(56)76)43-26-22-35-12-10-18-49-53(35)57(43)70-62(68-49)45-16-4-2-14-39(45)41-28-24-37(32-47(41)62)79-30-8-6-20-51(73)67-34-61(64,65)66;1-79(75,76)68-31-9-3-11-33-78-40-25-29-44-42-17-5-7-19-48(42)63(50(44)35-40)70-52-21-13-15-38-23-27-46(58(72-63)54(38)52)56-59(73)55(60(56)74)45-26-22-37-14-12-20-51-53(37)57(45)71-62(69-51)47-18-6-4-16-41(47)43-28-24-39(34-49(43)62)77-32-10-2-8-30-67-36-61(64,65)66;1-3-64-52(70)22-8-10-32-76-38-26-30-42-40-16-4-6-18-46(40)62(48(42)34-38)65-50-20-12-14-36-24-28-44(58(67-62)54(36)50)56-60(72)57(61(56)73)45-29-25-37-15-13-21-51-55(37)59(45)68-63(66-51)47-19-7-5-17-41(47)43-31-27-39(35-49(43)63)77-33-11-9-23-53(71)69-78(2,74)75/h3-6,11-20,23-30,33-34,67-69,75H,7-10,21-22,31-32H2,1-2H3,(H,65,71,73)(H,66,72,74);2-5,10-19,22-29,32-33,68-70,75H,6-9,20-21,30-31,34H2,1H3,(H,67,73)(H,72,74);4-7,12-29,34-35,67-71,73H,2-3,8-11,30-33,36H2,1H3;4-7,12-21,24-31,34-35,65-67,72H,3,8-11,22-23,32-33H2,1-2H3,(H,64,70)(H,69,71)
InChIKeyRNDZEUYWHAKEBA-UHFFFAOYSA-N
XLogP40.75
TPSA752.06 Ų
H-Bond Donors24
H-Bond Acceptors47
Rotatable Bonds60
Heavy Atoms316
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004278.81
LogP ≤ 540.75
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1047

Analyze 5-[4-[3-[2'-(5-acetamido-5-oxopentoxy)spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-acetylpentanamide;N-ethyl-5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxypentanamide;5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-(2,2,2-trifluoroethyl)pentanamide;N-[5-[4-[2-hydroxy-4-oxo-3-[2'-[5-(2,2,2-trifluoroethylamino)pentoxy]spiro[1,3-dihydroperimidine-2,9'-fluorene]-4-yl]cyclobut-2-en-1-ylidene]spiro[1H-perimidine-2,9'-fluorene]-2'-yl]oxypentyl]methanesulfonamide with MolForge

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Related Compounds

N-acetyl-5-[(4Z)-4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1,3-dihydroperimidine-2,9'-fluorene]-4-yl]-4-oxocyclobut-2-en-1-ylidene]spiro[1H-perimidine-2,9'-fluorene]-2'-yl]oxypentanamide
CID 164779955
5-[4-[(3E)-3-[2'-(4-carboxybutoxy)spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxypentanoic acid
CID 155639669
4-[4-(2-hydroxy-4-oxo-3-spiro[1,3-dihydroperimidine-2,9'-fluorene]-4-ylcyclobut-2-en-1-ylidene)spiro[1H-perimidine-2,9'-fluorene]-2'-yl]oxybutane-1-sulfonic acid
CID 158030054
bis([2-[2-[3-[6-(2-acetyloxy-2-phenylacetyl)imino-3-methyl-4-pyrrolidin-1-ylcyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-4-methyl-5-pyrrolidin-1-ylanilino]-2-oxo-1-phenylethyl] acetate);N-[2-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide;[2-[2-[3-[6-[2-[3-(dimethylamino)propanoyloxy]-2-phenylacetyl]imino-3-methyl-4-pyrrolidin-1-ylcyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-4-methyl-5-pyrrolidin-1-ylanilino]-2-oxo-1-phenylethyl] 3-(dimethylamino)propanoate;3-[2-[4-[3-[2'-[2-[dimethyl(3-sulfonatopropyl)azaniumyl]ethoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxyethyl-dimethylazaniumyl]propane-1-sulfonate;methanesulfonic acid
CID 163772364
3,4-dihydroxycyclobut-3-ene-1,2-dione;[9-[(3Z)-2-hydroxy-3-[2-methyl-2-(octadecylcarbamoyloxymethyl)-3H-benzo[de]quinolin-9-ylidene]-4-oxocyclobuten-1-yl]-2-methyl-1,3-dihydrobenzo[de]quinolin-2-yl]methyl N-octadecylcarbamate;(2-methyl-1,3-dihydroperimidin-2-yl)methanol;bis((2-methyl-1,3-dihydroperimidin-2-yl)methyl N-octadecylcarbamate);octadecyl cyanate
CID 158326466
(4E)-3-hydroxy-2-[3'-methyl-5'-(trifluoromethyl)spiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]-4-[3'-methyl-5'-(trifluoromethyl)spiro[1H-perimidine-2,1'-cyclohexane]-4-ylidene]cyclobut-2-en-1-one
CID 159771736
2-[3-(4-dodecylphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-(4-dodecylphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-hydroxycyclobut-2-en-1-one;3-hydroxy-2-[3-(4-octoxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-(4-octoxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]cyclobut-2-en-1-one
CID 160938254
CID 160551563
CID 160551563
N-(5-naphthalen-2-yloxypentyl)acetamide
CID 175828319
3-[4-[12-[2-hydroxy-3-[3-[4-(3-methoxypropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-oxocyclobut-2-en-1-ylidene]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1,5,7,9(13),10-pentaen-3-yl]phenoxy]propyl 2-[4-[[4-(2-oxopropyl)phenyl]methyl]phenyl]acetate
CID 158505569
ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate
CID 59492500
(4Z)-2-[(Z)-[3,3-dimethyl-1-(3-methylbutyl)indol-2-ylidene]methyl]-3-hydroxy-4-[9-[(3Z)-2-hydroxy-3-(2-methyl-2-propyl-1H-perimidin-4-ylidene)-4-oxocyclobuten-1-yl]-2-methyl-2-propyl-1H-perimidin-4-ylidene]cyclobut-2-en-1-one
CID 171731330

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[2'-(5-acetamido-5-oxopentoxy)spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-acetylpentanamide;N-ethyl-5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxypentanamide;5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-(2,2,2-trifluoroethyl)pentanamide;N-[5-[4-[2-hydroxy-4-oxo-3-[2'-[5-(2,2,2-trifluoroethylamino)pentoxy]spiro[1,3-dihydroperimidine-2,9'-fluorene]-4-yl]cyclobut-2-en-1-ylidene]spiro[1H-perimidine-2,9'-fluorene]-2'-yl]oxypentyl]methanesulfonamide?
The IUPAC name of 5-[4-[3-[2'-(5-acetamido-5-oxopentoxy)spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-acetylpentanamide;N-ethyl-5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxypentanamide;5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-(2,2,2-trifluoroethyl)pentanamide;N-[5-[4-[2-hydroxy-4-oxo-3-[2'-[5-(2,2,2-trifluoroethylamino)pentoxy]spiro[1,3-dihydroperimidine-2,9'-fluorene]-4-yl]cyclobut-2-en-1-ylidene]spiro[1H-perimidine-2,9'-fluorene]-2'-yl]oxypentyl]methanesulfonamide (CID 165022186) is 5-[4-[3-[2'-(5-acetamido-5-oxopentoxy)spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-acetylpentanamide;N-ethyl-5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxypentanamide;5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-(2,2,2-trifluoroethyl)pentanamide;N-[5-[4-[2-hydroxy-4-oxo-3-[2'-[5-(2,2,2-trifluoroethylamino)pentoxy]spiro[1,3-dihydroperimidine-2,9'-fluorene]-4-yl]cyclobut-2-en-1-ylidene]spiro[1H-perimidine-2,9'-fluorene]-2'-yl]oxypentyl]methanesulfonamide.
What is the SMILES notation for 5-[4-[3-[2'-(5-acetamido-5-oxopentoxy)spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-acetylpentanamide;N-ethyl-5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxypentanamide;5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-(2,2,2-trifluoroethyl)pentanamide;N-[5-[4-[2-hydroxy-4-oxo-3-[2'-[5-(2,2,2-trifluoroethylamino)pentoxy]spiro[1,3-dihydroperimidine-2,9'-fluorene]-4-yl]cyclobut-2-en-1-ylidene]spiro[1H-perimidine-2,9'-fluorene]-2'-yl]oxypentyl]methanesulfonamide?
The canonical SMILES for 5-[4-[3-[2'-(5-acetamido-5-oxopentoxy)spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-acetylpentanamide;N-ethyl-5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxypentanamide;5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-(2,2,2-trifluoroethyl)pentanamide;N-[5-[4-[2-hydroxy-4-oxo-3-[2'-[5-(2,2,2-trifluoroethylamino)pentoxy]spiro[1,3-dihydroperimidine-2,9'-fluorene]-4-yl]cyclobut-2-en-1-ylidene]spiro[1H-perimidine-2,9'-fluorene]-2'-yl]oxypentyl]methanesulfonamide is CC(=O)NC(=O)CCCCOc1ccc2c(c1)C1(N=c3c(=C4C(=O)C(c5ccc6cccc7c6c5NC5(N7)c6ccccc6-c6ccc(OCCCCC(=O)NC(C)=O)cc65)=C4O)ccc4cccc(c34)N1)c1ccccc1-2.CCNC(=O)CCCCOc1ccc2c(c1)C1(Nc3cccc4ccc(C5=C(O)C(=c6ccc7cccc8c7c6=NC6(N8)c7ccccc7-c7ccc(OCCCCC(=O)NS(C)(=O)=O)cc76)C5=O)c(c34)N1)c1ccccc1-2.CS(=O)(=O)NC(=O)CCCCOc1ccc2c(c1)C1(N=c3c(=C4C(=O)C(c5ccc6cccc7c6c5NC5(N7)c6ccccc6-c6ccc(OCCCCC(=O)NCC(F)(F)F)cc65)=C4O)ccc4cccc(c34)N1)c1ccccc1-2.CS(=O)(=O)NCCCCCOc1ccc2c(c1)C1(N=c3c(=C4C(=O)C(c5ccc6cccc7c6c5NC5(N7)c6ccccc6-c6ccc(OCCCCCNCC(F)(F)F)cc65)=C4O)ccc4cccc(c34)N1)c1ccccc1-2.
What is the InChIKey of 5-[4-[3-[2'-(5-acetamido-5-oxopentoxy)spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-acetylpentanamide;N-ethyl-5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxypentanamide;5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-(2,2,2-trifluoroethyl)pentanamide;N-[5-[4-[2-hydroxy-4-oxo-3-[2'-[5-(2,2,2-trifluoroethylamino)pentoxy]spiro[1,3-dihydroperimidine-2,9'-fluorene]-4-yl]cyclobut-2-en-1-ylidene]spiro[1H-perimidine-2,9'-fluorene]-2'-yl]oxypentyl]methanesulfonamide?
The InChIKey is RNDZEUYWHAKEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N6O8.C63H51F3N6O8S.C63H55F3N6O6S.C63H54N6O8S/c1-35(71)65-53(73)21-7-9-31-77-39-25-29-43-41-15-3-5-17-47(41)63(49(43)33-39)67-51-19-11-13-37-23-27-45(59(69-63)55(37)51)57-61(75)58(62(57)76)46-28-24-38-14-12-20-52-56(38)60(46)70-64(68-52)48-18-6-4-16-42(48)44-30-26-40(34-50(44)64)78-32-10-8-22-54(74)66-36(2)72;1-81(77,78)72-52(74)21-7-9-31-80-38-25-29-42-40-15-3-5-17-46(40)63(48(42)33-38)69-50-19-11-13-36-23-27-44(58(71-63)54(36)50)56-59(75)55(60(56)76)43-26-22-35-12-10-18-49-53(35)57(43)70-62(68-49)45-16-4-2-14-39(45)41-28-24-37(32-47(41)62)79-30-8-6-20-51(73)67-34-61(64,65)66;1-79(75,76)68-31-9-3-11-33-78-40-25-29-44-42-17-5-7-19-48(42)63(50(44)35-40)70-52-21-13-15-38-23-27-46(58(72-63)54(38)52)56-59(73)55(60(56)74)45-26-22-37-14-12-20-51-53(37)57(45)71-62(69-51)47-18-6-4-16-41(47)43-28-24-39(34-49(43)62)77-32-10-2-8-30-67-36-61(64,65)66;1-3-64-52(70)22-8-10-32-76-38-26-30-42-40-16-4-6-18-46(40)62(48(42)34-38)65-50-20-12-14-36-24-28-44(58(67-62)54(36)50)56-60(72)57(61(56)73)45-29-25-37-15-13-21-51-55(37)59(45)68-63(66-51)47-19-7-5-17-41(47)43-31-27-39(35-49(43)63)77-33-11-9-23-53(71)69-78(2,74)75/h3-6,11-20,23-30,33-34,67-69,75H,7-10,21-22,31-32H2,1-2H3,(H,65,71,73)(H,66,72,74);2-5,10-19,22-29,32-33,68-70,75H,6-9,20-21,30-31,34H2,1H3,(H,67,73)(H,72,74);4-7,12-29,34-35,67-71,73H,2-3,8-11,30-33,36H2,1H3;4-7,12-21,24-31,34-35,65-67,72H,3,8-11,22-23,32-33H2,1-2H3,(H,64,70)(H,69,71).
What are the key properties of 5-[4-[3-[2'-(5-acetamido-5-oxopentoxy)spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-acetylpentanamide;N-ethyl-5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxypentanamide;5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-(2,2,2-trifluoroethyl)pentanamide;N-[5-[4-[2-hydroxy-4-oxo-3-[2'-[5-(2,2,2-trifluoroethylamino)pentoxy]spiro[1,3-dihydroperimidine-2,9'-fluorene]-4-yl]cyclobut-2-en-1-ylidene]spiro[1H-perimidine-2,9'-fluorene]-2'-yl]oxypentyl]methanesulfonamide?
5-[4-[3-[2'-(5-acetamido-5-oxopentoxy)spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-acetylpentanamide;N-ethyl-5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxypentanamide;5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-(2,2,2-trifluoroethyl)pentanamide;N-[5-[4-[2-hydroxy-4-oxo-3-[2'-[5-(2,2,2-trifluoroethylamino)pentoxy]spiro[1,3-dihydroperimidine-2,9'-fluorene]-4-yl]cyclobut-2-en-1-ylidene]spiro[1H-perimidine-2,9'-fluorene]-2'-yl]oxypentyl]methanesulfonamide has a molecular weight of 4278.81 g/mol, XLogP of 40.75, 60 rotatable bonds, 24 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[2'-(5-acetamido-5-oxopentoxy)spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-acetylpentanamide;N-ethyl-5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxypentanamide;5-[4-[2-hydroxy-3-[2'-[5-(methanesulfonamido)-5-oxopentoxy]spiro[1H-perimidine-2,9'-fluorene]-4-ylidene]-4-oxocyclobuten-1-yl]spiro[1,3-dihydroperimidine-2,9'-fluorene]-2'-yl]oxy-N-(2,2,2-trifluoroethyl)pentanamide;N-[5-[4-[2-hydroxy-4-oxo-3-[2'-[5-(2,2,2-trifluoroethylamino)pentoxy]spiro[1,3-dihydroperimidine-2,9'-fluorene]-4-yl]cyclobut-2-en-1-ylidene]spiro[1H-perimidine-2,9'-fluorene]-2'-yl]oxypentyl]methanesulfonamide is sourced from PubChem (CID 165022186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).