carbanide;tetrakis(cyclopentane);2-cyclopentyl-N-[3-[5-[(3Z)-3-[1-[3-[(2-cyclopentylacetyl)amino]phenyl]-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;(2,6-ditert-butyl-4-methylcyclohexyl) 2-[(4-cyclopentyl-4-oxobutanoyl)amino]-5-[3-[4-(4-cyclopentyl-4-oxobutanoyl)imino-3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-4-propan-2-yl-1H-pyrrole-3-carboxylate;tetrakis(iron(2+));methane

C137H211Fe4N9O20 — CID 162270287

About carbanide;tetrakis(cyclopentane);2-cyclopentyl-N-[3-[5-[(3Z)-3-[1-[3-[(2-cyclopentylacetyl)amino]phenyl]-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;(2,6-ditert-butyl-4-methylcyclohexyl) 2-[(4-cyclopentyl-4-oxobutanoyl)amino]-5-[3-[4-(4-cyclopentyl-4-oxobutanoyl)imino-3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-4-propan-2-yl-1H-pyrrole-3-carboxylate;tetrakis(iron(2+));methane

carbanide;tetrakis(cyclopentane);2-cyclopentyl-N-[3-[5-[(3Z)-3-[1-[3-[(2-cyclopentylacetyl)amino]phenyl]-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;(2,6-ditert-butyl-4-methylcyclohexyl) 2-[(4-cyclopentyl-4-oxobutanoyl)amino]-5-[3-[4-(4-cyclopentyl-4-oxobutanoyl)imino-3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-4-propan-2-yl-1H-pyrrole-3-carboxylate;tetrakis(iron(2+));methane (PubChem CID 162270287) has the molecular formula C137H211Fe4N9O20 and a molecular weight of 2527.62 g/mol. Its IUPAC name is carbanide;tetrakis(cyclopentane);2-cyclopentyl-N-[3-[5-[(3Z)-3-[1-[3-[(2-cyclopentylacetyl)amino]phenyl]-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;(2,6-ditert-butyl-4-methylcyclohexyl) 2-[(4-cyclopentyl-4-oxobutanoyl)amino]-5-[3-[4-(4-cyclopentyl-4-oxobutanoyl)imino-3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-4-propan-2-yl-1H-pyrrole-3-carboxylate;tetrakis(iron(2+));methane.

Molecular Properties

• Compound Name: carbanide;tetrakis(cyclopentane);2-cyclopentyl-N-[3-[5-[(3Z)-3-[1-[3-[(2-cyclopentylacetyl)amino]phenyl]-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;(2,6-ditert-butyl-4-methylcyclohexyl) 2-[(4-cyclopentyl-4-oxobutanoyl)amino]-5-[3-[4-(4-cyclopentyl-4-oxobutanoyl)imino-3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-4-propan-2-yl-1H-pyrrole-3-carboxylate;tetrakis(iron(2+));methane
• PubChem CID: 162270287
• Molecular Formula: C137H211Fe4N9O20
• Molecular Weight: 2527.62 g/mol
• Exact Mass: 2526.32
• IUPAC Name: carbanide;tetrakis(cyclopentane);2-cyclopentyl-N-[3-[5-[(3Z)-3-[1-[3-[(2-cyclopentylacetyl)amino]phenyl]-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;(2,6-ditert-butyl-4-methylcyclohexyl) 2-[(4-cyclopentyl-4-oxobutanoyl)amino]-5-[3-[4-(4-cyclopentyl-4-oxobutanoyl)imino-3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-4-propan-2-yl-1H-pyrrole-3-carboxylate;tetrakis(iron(2+));methane
• SMILES: C.C.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.CC1CC(C(C)(C)C)C(OC(=O)C2=C(C(C)C)C(=C3C(=O)C(c4[nH]c(NC(=O)CCC(=O)C5CCCC5)c(C(=O)OC5C(C(C)(C)C)CC(C)CC5C(C)(C)C)c4C(C)C)=C3O)C/C2=N\C(=O)CCC(=O)C2CCCC2)C(C(C)(C)C)C1.O=C(CC1CCCC1)Nc1cccc(N2C(=O)/C(=C3\C(=O)C(c4c(O)n(-c5cccc(NC(=O)CC6CCCC6)c5)c(=O)[nH]c4=O)=C3O)C(=O)N=C2O)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].[Fe+2].[Fe+2]
• InChI: InChI=1S/C69H103N3O10.C38H36N6O10.4C5H10.2CH4.8CH3.4Fe/c1-36(2)52-42(35-47(70-50(75)29-27-48(73)40-23-19-20-24-40)55(52)64(79)81-61-43(66(7,8)9)31-38(5)32-44(61)67(10,11)12)54-59(77)57(60(54)78)58-53(37(3)4)56(63(72-58)71-51(76)30-28-49(74)41-25-21-22-26-41)65(80)82-62-45(68(13,14)15)33-39(6)34-46(62)69(16,17)18;45-25(15-19-7-1-2-8-19)39-21-11-5-13-23(17-21)43-35(51)29(33(49)41-37(43)53)27-31(47)28(32(27)48)30-34(50)42-38(54)44(36(30)52)24-14-6-12-22(18-24)40-26(46)16-20-9-3-4-10-20;4*1-2-4-5-3-1;;;;;;;;;;;;;;/h36-41,43-46,61-62,72,77H,19-35H2,1-18H3,(H,71,76);5-6,11-14,17-20,47,51H,1-4,7-10,15-16H2,(H,39,45)(H,40,46)(H,41,49,53)(H,42,50,54);4*1-5H2;2*1H4;8*1H3;;;;/q;;;;;;;;8*-1;4*+2/b54-42?,70-47+;30-28-
• InChIKey: QBBOVZKLVWEERW-YGFDZJDASA-N
• XLogP: 32.15
• TPSA: 438.92 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2527.62
LogP ≤ 5	32.15
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;tetrakis(cyclopentane);2-cyclopentyl-N-[3-[5-[(3Z)-3-[1-[3-[(2-cyclopentylacetyl)amino]phenyl]-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;(2,6-ditert-butyl-4-methylcyclohexyl) 2-[(4-cyclopentyl-4-oxobutanoyl)amino]-5-[3-[4-(4-cyclopentyl-4-oxobutanoyl)imino-3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-4-propan-2-yl-1H-pyrrole-3-carboxylate;tetrakis(iron(2+));methane?

The IUPAC name of carbanide;tetrakis(cyclopentane);2-cyclopentyl-N-[3-[5-[(3Z)-3-[1-[3-[(2-cyclopentylacetyl)amino]phenyl]-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;(2,6-ditert-butyl-4-methylcyclohexyl) 2-[(4-cyclopentyl-4-oxobutanoyl)amino]-5-[3-[4-(4-cyclopentyl-4-oxobutanoyl)imino-3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-4-propan-2-yl-1H-pyrrole-3-carboxylate;tetrakis(iron(2+));methane (CID 162270287) is carbanide;tetrakis(cyclopentane);2-cyclopentyl-N-[3-[5-[(3Z)-3-[1-[3-[(2-cyclopentylacetyl)amino]phenyl]-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;(2,6-ditert-butyl-4-methylcyclohexyl) 2-[(4-cyclopentyl-4-oxobutanoyl)amino]-5-[3-[4-(4-cyclopentyl-4-oxobutanoyl)imino-3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-4-propan-2-yl-1H-pyrrole-3-carboxylate;tetrakis(iron(2+));methane.

What is the SMILES notation for carbanide;tetrakis(cyclopentane);2-cyclopentyl-N-[3-[5-[(3Z)-3-[1-[3-[(2-cyclopentylacetyl)amino]phenyl]-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;(2,6-ditert-butyl-4-methylcyclohexyl) 2-[(4-cyclopentyl-4-oxobutanoyl)amino]-5-[3-[4-(4-cyclopentyl-4-oxobutanoyl)imino-3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-4-propan-2-yl-1H-pyrrole-3-carboxylate;tetrakis(iron(2+));methane?

The canonical SMILES for carbanide;tetrakis(cyclopentane);2-cyclopentyl-N-[3-[5-[(3Z)-3-[1-[3-[(2-cyclopentylacetyl)amino]phenyl]-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;(2,6-ditert-butyl-4-methylcyclohexyl) 2-[(4-cyclopentyl-4-oxobutanoyl)amino]-5-[3-[4-(4-cyclopentyl-4-oxobutanoyl)imino-3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-4-propan-2-yl-1H-pyrrole-3-carboxylate;tetrakis(iron(2+));methane is C.C.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.CC1CC(C(C)(C)C)C(OC(=O)C2=C(C(C)C)C(=C3C(=O)C(c4[nH]c(NC(=O)CCC(=O)C5CCCC5)c(C(=O)OC5C(C(C)(C)C)CC(C)CC5C(C)(C)C)c4C(C)C)=C3O)C/C2=N\C(=O)CCC(=O)C2CCCC2)C(C(C)(C)C)C1.O=C(CC1CCCC1)Nc1cccc(N2C(=O)/C(=C3\C(=O)C(c4c(O)n(-c5cccc(NC(=O)CC6CCCC6)c5)c(=O)[nH]c4=O)=C3O)C(=O)N=C2O)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].[Fe+2].[Fe+2].

What is the InChIKey of carbanide;tetrakis(cyclopentane);2-cyclopentyl-N-[3-[5-[(3Z)-3-[1-[3-[(2-cyclopentylacetyl)amino]phenyl]-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;(2,6-ditert-butyl-4-methylcyclohexyl) 2-[(4-cyclopentyl-4-oxobutanoyl)amino]-5-[3-[4-(4-cyclopentyl-4-oxobutanoyl)imino-3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-4-propan-2-yl-1H-pyrrole-3-carboxylate;tetrakis(iron(2+));methane?

The InChIKey is QBBOVZKLVWEERW-YGFDZJDASA-N. The full InChI is InChI=1S/C69H103N3O10.C38H36N6O10.4C5H10.2CH4.8CH3.4Fe/c1-36(2)52-42(35-47(70-50(75)29-27-48(73)40-23-19-20-24-40)55(52)64(79)81-61-43(66(7,8)9)31-38(5)32-44(61)67(10,11)12)54-59(77)57(60(54)78)58-53(37(3)4)56(63(72-58)71-51(76)30-28-49(74)41-25-21-22-26-41)65(80)82-62-45(68(13,14)15)33-39(6)34-46(62)69(16,17)18;45-25(15-19-7-1-2-8-19)39-21-11-5-13-23(17-21)43-35(51)29(33(49)41-37(43)53)27-31(47)28(32(27)48)30-34(50)42-38(54)44(36(30)52)24-14-6-12-22(18-24)40-26(46)16-20-9-3-4-10-20;4*1-2-4-5-3-1;;;;;;;;;;;;;;/h36-41,43-46,61-62,72,77H,19-35H2,1-18H3,(H,71,76);5-6,11-14,17-20,47,51H,1-4,7-10,15-16H2,(H,39,45)(H,40,46)(H,41,49,53)(H,42,50,54);4*1-5H2;2*1H4;8*1H3;;;;/q;;;;;;;;8*-1;4*+2/b54-42?,70-47+;30-28-;;;;;;;;;;;;;;;;;;.

What are the key properties of carbanide;tetrakis(cyclopentane);2-cyclopentyl-N-[3-[5-[(3Z)-3-[1-[3-[(2-cyclopentylacetyl)amino]phenyl]-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;(2,6-ditert-butyl-4-methylcyclohexyl) 2-[(4-cyclopentyl-4-oxobutanoyl)amino]-5-[3-[4-(4-cyclopentyl-4-oxobutanoyl)imino-3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-4-propan-2-yl-1H-pyrrole-3-carboxylate;tetrakis(iron(2+));methane?

carbanide;tetrakis(cyclopentane);2-cyclopentyl-N-[3-[5-[(3Z)-3-[1-[3-[(2-cyclopentylacetyl)amino]phenyl]-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;(2,6-ditert-butyl-4-methylcyclohexyl) 2-[(4-cyclopentyl-4-oxobutanoyl)amino]-5-[3-[4-(4-cyclopentyl-4-oxobutanoyl)imino-3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-4-propan-2-yl-1H-pyrrole-3-carboxylate;tetrakis(iron(2+));methane has a molecular weight of 2527.62 g/mol, XLogP of 32.15, 25 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;tetrakis(cyclopentane);2-cyclopentyl-N-[3-[5-[(3Z)-3-[1-[3-[(2-cyclopentylacetyl)amino]phenyl]-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;(2,6-ditert-butyl-4-methylcyclohexyl) 2-[(4-cyclopentyl-4-oxobutanoyl)amino]-5-[3-[4-(4-cyclopentyl-4-oxobutanoyl)imino-3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-4-propan-2-yl-1H-pyrrole-3-carboxylate;tetrakis(iron(2+));methane is sourced from PubChem (CID 162270287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).