(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2,2-dimethylpropanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2,2-dimethylpropanoylamino)-4-phenylpyrrole-3-carboxylate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2-ethylhexanoylamino)-4-phenylpyrrole-3-carboxylate;bis((2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-1-id-2-yl]methylidene]-2-[(2-methylbenzoyl)amino]-4-phenylpyrrole-3-carboxylate);2-hexyldecanoic acid;tris(2-methylheptadecanoic acid);zinc

C340H500N16O32Zn4-4 — CID 158901676

IUPAC(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2,2-dimethylpropanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2,2-dimethylpropanoylamino)-4-phenylpyrrole-3-carboxylate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2-ethylhexanoylamino)-4-phenylpyrrole-3-carboxylate;bis((2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-1-id-2-yl]methylidene]-2-[(2-methylbenzoyl)amino]-4-phenylpyrrole-3-carboxylate);2-hexyldecanoic acid;tris(2-methylheptadecanoic acid);zinc
SMILESCC1CC(C(C)(C)C)C(OC(=O)C2=C(c3ccccc3)C(=Cc3[n-]c(NC(=O)C(C)(C)C)c(C(=O)OC4C(C(C)(C)C)CC(C)CC4C(C)(C)C)c3-c3ccccc3)N=C2NC(=O)C(C)(C)C)C(C(C)(C)C)C1.CCCCC(CC)C(=O)NC1=NC(=Cc2[n-]c(NC(=O)C(CC)CCCC)c(C(=O)OC3C(C(C)(C)C)CC(C)CC3C(C)(C)C)c2-c2ccccc2)C(c2ccccc2)=C1C(=O)OC1C(C(C)(C)C)CC(C)CC1C(C)(C)C.CCCCCCCCC(CCCCCC)C(=O)O.CCCCCCCCCCCCCCCC(C)C(=O)O.CCCCCCCCCCCCCCCC(C)C(=O)O.CCCCCCCCCCCCCCCC(C)C(=O)O.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(C(=O)OC3C(C(C)(C)C)CC(C)CC3C(C)(C)C)c2-c2ccccc2)C(c2ccccc2)=C1C(=O)OC1C(C(C)(C)C)CC(C)CC1C(C)(C)C.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(C(=O)OC3C(C(C)(C)C)CC(C)CC3C(C)(C)C)c2-c2ccccc2)C(c2ccccc2)=C1C(=O)OC1C(C(C)(C)C)CC(C)CC1C(C)(C)C.[Zn].[Zn].[Zn].[Zn]
InChIInChI=1S/2C69H86N4O6.C69H102N4O6.C63H90N4O6.3C18H36O2.C16H32O2.4Zn/c2*1-40-35-48(66(5,6)7)58(49(36-40)67(8,9)10)78-64(76)56-54(44-29-19-17-20-30-44)52(70-60(56)72-62(74)46-33-25-23-27-42(46)3)39-53-55(45-31-21-18-22-32-45)57(61(71-53)73-63(75)47-34-26-24-28-43(47)4)65(77)79-59-50(68(11,12)13)37-41(2)38-51(59)69(14,15)16;1-19-23-31-44(21-3)62(74)72-60-56(64(76)78-58-48(66(7,8)9)37-42(5)38-49(58)67(10,11)12)54(46-33-27-25-28-34-46)52(70-60)41-53-55(47-35-29-26-30-36-47)57(61(71-53)73-63(75)45(22-4)32-24-20-2)65(77)79-59-50(68(13,14)15)39-43(6)40-51(59)69(16,17)18;1-36-31-40(58(3,4)5)50(41(32-36)59(6,7)8)72-54(68)48-46(38-27-23-21-24-28-38)44(64-52(48)66-56(70)62(15,16)17)35-45-47(39-29-25-22-26-30-39)49(53(65-45)67-57(71)63(18,19)20)55(69)73-51-42(60(9,10)11)33-37(2)34-43(51)61(12,13)14;3*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(19)20;1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2;;;;/h2*17-34,39-41,48-51,58-59H,35-38H2,1-16H3,(H3,70,71,72,73,74,75,76,77);25-30,33-36,41-45,48-51,58-59H,19-24,31-32,37-40H2,1-18H3,(H3,70,71,72,73,74,75,76,77);21-30,35-37,40-43,50-51H,31-34H2,1-20H3,(H3,64,65,66,67,68,69,70,71);3*17H,3-16H2,1-2H3,(H,19,20);15H,3-14H2,1-2H3,(H,17,18);;;;/p-4
InChIKeyBNHTZVAFHWEJKW-UHFFFAOYSA-J
MW5585.38 g/mol
LogP87.05
Rot. Bonds104

About (2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2,2-dimethylpropanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2,2-dimethylpropanoylamino)-4-phenylpyrrole-3-carboxylate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2-ethylhexanoylamino)-4-phenylpyrrole-3-carboxylate;bis((2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-1-id-2-yl]methylidene]-2-[(2-methylbenzoyl)amino]-4-phenylpyrrole-3-carboxylate);2-hexyldecanoic acid;tris(2-methylheptadecanoic acid);zinc

(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2,2-dimethylpropanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2,2-dimethylpropanoylamino)-4-phenylpyrrole-3-carboxylate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2-ethylhexanoylamino)-4-phenylpyrrole-3-carboxylate;bis((2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-1-id-2-yl]methylidene]-2-[(2-methylbenzoyl)amino]-4-phenylpyrrole-3-carboxylate);2-hexyldecanoic acid;tris(2-methylheptadecanoic acid);zinc (PubChem CID 158901676) has the molecular formula C340H500N16O32Zn4-4 and a molecular weight of 5585.38 g/mol. Its IUPAC name is (2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2,2-dimethylpropanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2,2-dimethylpropanoylamino)-4-phenylpyrrole-3-carboxylate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2-ethylhexanoylamino)-4-phenylpyrrole-3-carboxylate;bis((2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-1-id-2-yl]methylidene]-2-[(2-methylbenzoyl)amino]-4-phenylpyrrole-3-carboxylate);2-hexyldecanoic acid;tris(2-methylheptadecanoic acid);zinc.

Molecular Properties

Compound Name(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2,2-dimethylpropanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2,2-dimethylpropanoylamino)-4-phenylpyrrole-3-carboxylate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2-ethylhexanoylamino)-4-phenylpyrrole-3-carboxylate;bis((2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-1-id-2-yl]methylidene]-2-[(2-methylbenzoyl)amino]-4-phenylpyrrole-3-carboxylate);2-hexyldecanoic acid;tris(2-methylheptadecanoic acid);zinc
PubChem CID158901676
Molecular FormulaC340H500N16O32Zn4-4
Molecular Weight5585.38 g/mol
Exact Mass5575.52
IUPAC Name(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2,2-dimethylpropanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2,2-dimethylpropanoylamino)-4-phenylpyrrole-3-carboxylate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2-ethylhexanoylamino)-4-phenylpyrrole-3-carboxylate;bis((2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-1-id-2-yl]methylidene]-2-[(2-methylbenzoyl)amino]-4-phenylpyrrole-3-carboxylate);2-hexyldecanoic acid;tris(2-methylheptadecanoic acid);zinc
SMILESCC1CC(C(C)(C)C)C(OC(=O)C2=C(c3ccccc3)C(=Cc3[n-]c(NC(=O)C(C)(C)C)c(C(=O)OC4C(C(C)(C)C)CC(C)CC4C(C)(C)C)c3-c3ccccc3)N=C2NC(=O)C(C)(C)C)C(C(C)(C)C)C1.CCCCC(CC)C(=O)NC1=NC(=Cc2[n-]c(NC(=O)C(CC)CCCC)c(C(=O)OC3C(C(C)(C)C)CC(C)CC3C(C)(C)C)c2-c2ccccc2)C(c2ccccc2)=C1C(=O)OC1C(C(C)(C)C)CC(C)CC1C(C)(C)C.CCCCCCCCC(CCCCCC)C(=O)O.CCCCCCCCCCCCCCCC(C)C(=O)O.CCCCCCCCCCCCCCCC(C)C(=O)O.CCCCCCCCCCCCCCCC(C)C(=O)O.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(C(=O)OC3C(C(C)(C)C)CC(C)CC3C(C)(C)C)c2-c2ccccc2)C(c2ccccc2)=C1C(=O)OC1C(C(C)(C)C)CC(C)CC1C(C)(C)C.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(C(=O)OC3C(C(C)(C)C)CC(C)CC3C(C)(C)C)c2-c2ccccc2)C(c2ccccc2)=C1C(=O)OC1C(C(C)(C)C)CC(C)CC1C(C)(C)C.[Zn].[Zn].[Zn].[Zn]
InChIInChI=1S/2C69H86N4O6.C69H102N4O6.C63H90N4O6.3C18H36O2.C16H32O2.4Zn/c2*1-40-35-48(66(5,6)7)58(49(36-40)67(8,9)10)78-64(76)56-54(44-29-19-17-20-30-44)52(70-60(56)72-62(74)46-33-25-23-27-42(46)3)39-53-55(45-31-21-18-22-32-45)57(61(71-53)73-63(75)47-34-26-24-28-43(47)4)65(77)79-59-50(68(11,12)13)37-41(2)38-51(59)69(14,15)16;1-19-23-31-44(21-3)62(74)72-60-56(64(76)78-58-48(66(7,8)9)37-42(5)38-49(58)67(10,11)12)54(46-33-27-25-28-34-46)52(70-60)41-53-55(47-35-29-26-30-36-47)57(61(71-53)73-63(75)45(22-4)32-24-20-2)65(77)79-59-50(68(13,14)15)39-43(6)40-51(59)69(16,17)18;1-36-31-40(58(3,4)5)50(41(32-36)59(6,7)8)72-54(68)48-46(38-27-23-21-24-28-38)44(64-52(48)66-56(70)62(15,16)17)35-45-47(39-29-25-22-26-30-39)49(53(65-45)67-57(71)63(18,19)20)55(69)73-51-42(60(9,10)11)33-37(2)34-43(51)61(12,13)14;3*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(19)20;1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2;;;;/h2*17-34,39-41,48-51,58-59H,35-38H2,1-16H3,(H3,70,71,72,73,74,75,76,77);25-30,33-36,41-45,48-51,58-59H,19-24,31-32,37-40H2,1-18H3,(H3,70,71,72,73,74,75,76,77);21-30,35-37,40-43,50-51H,31-34H2,1-20H3,(H3,64,65,66,67,68,69,70,71);3*17H,3-16H2,1-2H3,(H,19,20);15H,3-14H2,1-2H3,(H,17,18);;;;/p-4
InChIKeyBNHTZVAFHWEJKW-UHFFFAOYSA-J
XLogP87.05
TPSA698.24 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds104
Heavy Atoms392
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005585.38
LogP ≤ 587.05
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Analyze (2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2,2-dimethylpropanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2,2-dimethylpropanoylamino)-4-phenylpyrrole-3-carboxylate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2-ethylhexanoylamino)-4-phenylpyrrole-3-carboxylate;bis((2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-1-id-2-yl]methylidene]-2-[(2-methylbenzoyl)amino]-4-phenylpyrrole-3-carboxylate);2-hexyldecanoic acid;tris(2-methylheptadecanoic acid);zinc with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2,2-dimethylpropanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2,2-dimethylpropanoylamino)-4-phenylpyrrole-3-carboxylate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2-ethylhexanoylamino)-4-phenylpyrrole-3-carboxylate;bis((2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-1-id-2-yl]methylidene]-2-[(2-methylbenzoyl)amino]-4-phenylpyrrole-3-carboxylate);2-hexyldecanoic acid;tris(2-methylheptadecanoic acid);zinc?
The IUPAC name of (2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2,2-dimethylpropanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2,2-dimethylpropanoylamino)-4-phenylpyrrole-3-carboxylate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2-ethylhexanoylamino)-4-phenylpyrrole-3-carboxylate;bis((2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-1-id-2-yl]methylidene]-2-[(2-methylbenzoyl)amino]-4-phenylpyrrole-3-carboxylate);2-hexyldecanoic acid;tris(2-methylheptadecanoic acid);zinc (CID 158901676) is (2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2,2-dimethylpropanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2,2-dimethylpropanoylamino)-4-phenylpyrrole-3-carboxylate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2-ethylhexanoylamino)-4-phenylpyrrole-3-carboxylate;bis((2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-1-id-2-yl]methylidene]-2-[(2-methylbenzoyl)amino]-4-phenylpyrrole-3-carboxylate);2-hexyldecanoic acid;tris(2-methylheptadecanoic acid);zinc.
What is the SMILES notation for (2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2,2-dimethylpropanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2,2-dimethylpropanoylamino)-4-phenylpyrrole-3-carboxylate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2-ethylhexanoylamino)-4-phenylpyrrole-3-carboxylate;bis((2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-1-id-2-yl]methylidene]-2-[(2-methylbenzoyl)amino]-4-phenylpyrrole-3-carboxylate);2-hexyldecanoic acid;tris(2-methylheptadecanoic acid);zinc?
The canonical SMILES for (2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2,2-dimethylpropanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2,2-dimethylpropanoylamino)-4-phenylpyrrole-3-carboxylate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2-ethylhexanoylamino)-4-phenylpyrrole-3-carboxylate;bis((2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-1-id-2-yl]methylidene]-2-[(2-methylbenzoyl)amino]-4-phenylpyrrole-3-carboxylate);2-hexyldecanoic acid;tris(2-methylheptadecanoic acid);zinc is CC1CC(C(C)(C)C)C(OC(=O)C2=C(c3ccccc3)C(=Cc3[n-]c(NC(=O)C(C)(C)C)c(C(=O)OC4C(C(C)(C)C)CC(C)CC4C(C)(C)C)c3-c3ccccc3)N=C2NC(=O)C(C)(C)C)C(C(C)(C)C)C1.CCCCC(CC)C(=O)NC1=NC(=Cc2[n-]c(NC(=O)C(CC)CCCC)c(C(=O)OC3C(C(C)(C)C)CC(C)CC3C(C)(C)C)c2-c2ccccc2)C(c2ccccc2)=C1C(=O)OC1C(C(C)(C)C)CC(C)CC1C(C)(C)C.CCCCCCCCC(CCCCCC)C(=O)O.CCCCCCCCCCCCCCCC(C)C(=O)O.CCCCCCCCCCCCCCCC(C)C(=O)O.CCCCCCCCCCCCCCCC(C)C(=O)O.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(C(=O)OC3C(C(C)(C)C)CC(C)CC3C(C)(C)C)c2-c2ccccc2)C(c2ccccc2)=C1C(=O)OC1C(C(C)(C)C)CC(C)CC1C(C)(C)C.Cc1ccccc1C(=O)NC1=NC(=Cc2[n-]c(NC(=O)c3ccccc3C)c(C(=O)OC3C(C(C)(C)C)CC(C)CC3C(C)(C)C)c2-c2ccccc2)C(c2ccccc2)=C1C(=O)OC1C(C(C)(C)C)CC(C)CC1C(C)(C)C.[Zn].[Zn].[Zn].[Zn].
What is the InChIKey of (2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2,2-dimethylpropanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2,2-dimethylpropanoylamino)-4-phenylpyrrole-3-carboxylate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2-ethylhexanoylamino)-4-phenylpyrrole-3-carboxylate;bis((2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-1-id-2-yl]methylidene]-2-[(2-methylbenzoyl)amino]-4-phenylpyrrole-3-carboxylate);2-hexyldecanoic acid;tris(2-methylheptadecanoic acid);zinc?
The InChIKey is BNHTZVAFHWEJKW-UHFFFAOYSA-J. The full InChI is InChI=1S/2C69H86N4O6.C69H102N4O6.C63H90N4O6.3C18H36O2.C16H32O2.4Zn/c2*1-40-35-48(66(5,6)7)58(49(36-40)67(8,9)10)78-64(76)56-54(44-29-19-17-20-30-44)52(70-60(56)72-62(74)46-33-25-23-27-42(46)3)39-53-55(45-31-21-18-22-32-45)57(61(71-53)73-63(75)47-34-26-24-28-43(47)4)65(77)79-59-50(68(11,12)13)37-41(2)38-51(59)69(14,15)16;1-19-23-31-44(21-3)62(74)72-60-56(64(76)78-58-48(66(7,8)9)37-42(5)38-49(58)67(10,11)12)54(46-33-27-25-28-34-46)52(70-60)41-53-55(47-35-29-26-30-36-47)57(61(71-53)73-63(75)45(22-4)32-24-20-2)65(77)79-59-50(68(13,14)15)39-43(6)40-51(59)69(16,17)18;1-36-31-40(58(3,4)5)50(41(32-36)59(6,7)8)72-54(68)48-46(38-27-23-21-24-28-38)44(64-52(48)66-56(70)62(15,16)17)35-45-47(39-29-25-22-26-30-39)49(53(65-45)67-57(71)63(18,19)20)55(69)73-51-42(60(9,10)11)33-37(2)34-43(51)61(12,13)14;3*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(19)20;1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2;;;;/h2*17-34,39-41,48-51,58-59H,35-38H2,1-16H3,(H3,70,71,72,73,74,75,76,77);25-30,33-36,41-45,48-51,58-59H,19-24,31-32,37-40H2,1-18H3,(H3,70,71,72,73,74,75,76,77);21-30,35-37,40-43,50-51H,31-34H2,1-20H3,(H3,64,65,66,67,68,69,70,71);3*17H,3-16H2,1-2H3,(H,19,20);15H,3-14H2,1-2H3,(H,17,18);;;;/p-4.
What are the key properties of (2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2,2-dimethylpropanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2,2-dimethylpropanoylamino)-4-phenylpyrrole-3-carboxylate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2-ethylhexanoylamino)-4-phenylpyrrole-3-carboxylate;bis((2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-1-id-2-yl]methylidene]-2-[(2-methylbenzoyl)amino]-4-phenylpyrrole-3-carboxylate);2-hexyldecanoic acid;tris(2-methylheptadecanoic acid);zinc?
(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2,2-dimethylpropanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2,2-dimethylpropanoylamino)-4-phenylpyrrole-3-carboxylate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2-ethylhexanoylamino)-4-phenylpyrrole-3-carboxylate;bis((2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-1-id-2-yl]methylidene]-2-[(2-methylbenzoyl)amino]-4-phenylpyrrole-3-carboxylate);2-hexyldecanoic acid;tris(2-methylheptadecanoic acid);zinc has a molecular weight of 5585.38 g/mol, XLogP of 87.05, 104 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2,2-dimethylpropanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2,2-dimethylpropanoylamino)-4-phenylpyrrole-3-carboxylate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-(2-ethylhexanoylamino)-3-phenylpyrrol-1-id-2-yl]methylidene]-2-(2-ethylhexanoylamino)-4-phenylpyrrole-3-carboxylate;bis((2,6-ditert-butyl-4-methylcyclohexyl) 5-[[4-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-1-id-2-yl]methylidene]-2-[(2-methylbenzoyl)amino]-4-phenylpyrrole-3-carboxylate);2-hexyldecanoic acid;tris(2-methylheptadecanoic acid);zinc is sourced from PubChem (CID 158901676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).