(2-azanidylcyclohexyl)azanide;4-[3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propylamino]-4-oxobutanoic acid;manganese;nitric acid;oxalic acid;platinum(2+);hydrate

C60H88MnN9O20Pt- — CID 176610816

IUPAC(2-azanidylcyclohexyl)azanide;4-[3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propylamino]-4-oxobutanoic acid;manganese;nitric acid;oxalic acid;platinum(2+);hydrate
SMILESCCc1c(CC)c2cc3nc(cnc4cc(OCCOCCOCCOC)c(OCCOCCOCCOC)cc4ncc4nc(cc1[n-]2)C(CCCO)=C4C)C(C)=C3CCCNC(=O)CCC(=O)O.O.O=C(O)C(=O)O.O=[N+]([O-])O.[Mn].[NH-]C1CCCCC1[NH-].[Pt+2]
InChIInChI=1S/C52H72N6O12.C6H12N2.C2H2O4.Mn.HNO3.H2O.Pt/c1-7-37-38(8-2)42-30-44-40(12-10-16-59)36(4)48(58-44)34-55-46-32-50(70-28-26-68-24-22-66-20-18-64-6)49(69-27-25-67-23-21-65-19-17-63-5)31-45(46)54-33-47-35(3)39(43(57-47)29-41(37)56-42)11-9-15-53-51(60)13-14-52(61)62;7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;;2-1(3)4;;/h29-34,59H,7-28H2,1-6H3,(H3,53,54,55,56,57,58,60,61,62);5-8H,1-4H2;(H,3,4)(H,5,6);;(H,2,3,4);1H2;/q;-2;;;;;+2/p-1
InChIKeyAHFSPFKEUHDCTH-UHFFFAOYSA-M
MW1505.42 g/mol
LogP6.98
Rot. Bonds32

About (2-azanidylcyclohexyl)azanide;4-[3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propylamino]-4-oxobutanoic acid;manganese;nitric acid;oxalic acid;platinum(2+);hydrate

(2-azanidylcyclohexyl)azanide;4-[3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propylamino]-4-oxobutanoic acid;manganese;nitric acid;oxalic acid;platinum(2+);hydrate (PubChem CID 176610816) has the molecular formula C60H88MnN9O20Pt- and a molecular weight of 1505.42 g/mol. Its IUPAC name is (2-azanidylcyclohexyl)azanide;4-[3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propylamino]-4-oxobutanoic acid;manganese;nitric acid;oxalic acid;platinum(2+);hydrate.

Molecular Properties

Compound Name(2-azanidylcyclohexyl)azanide;4-[3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propylamino]-4-oxobutanoic acid;manganese;nitric acid;oxalic acid;platinum(2+);hydrate
PubChem CID176610816
Molecular FormulaC60H88MnN9O20Pt-
Molecular Weight1505.42 g/mol
Exact Mass1504.52
IUPAC Name(2-azanidylcyclohexyl)azanide;4-[3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propylamino]-4-oxobutanoic acid;manganese;nitric acid;oxalic acid;platinum(2+);hydrate
SMILESCCc1c(CC)c2cc3nc(cnc4cc(OCCOCCOCCOC)c(OCCOCCOCCOC)cc4ncc4nc(cc1[n-]2)C(CCCO)=C4C)C(C)=C3CCCNC(=O)CCC(=O)O.O.O=C(O)C(=O)O.O=[N+]([O-])O.[Mn].[NH-]C1CCCCC1[NH-].[Pt+2]
InChIInChI=1S/C52H72N6O12.C6H12N2.C2H2O4.Mn.HNO3.H2O.Pt/c1-7-37-38(8-2)42-30-44-40(12-10-16-59)36(4)48(58-44)34-55-46-32-50(70-28-26-68-24-22-66-20-18-64-6)49(69-27-25-67-23-21-65-19-17-63-5)31-45(46)54-33-47-35(3)39(43(57-47)29-41(37)56-42)11-9-15-53-51(60)13-14-52(61)62;7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;;2-1(3)4;;/h29-34,59H,7-28H2,1-6H3,(H3,53,54,55,56,57,58,60,61,62);5-8H,1-4H2;(H,3,4)(H,5,6);;(H,2,3,4);1H2;/q;-2;;;;;+2/p-1
InChIKeyAHFSPFKEUHDCTH-UHFFFAOYSA-M
XLogP6.98
TPSA443.20 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds32
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001505.42
LogP ≤ 56.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2-azanidylcyclohexyl)azanide;4-[3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propylamino]-4-oxobutanoic acid;manganese;nitric acid;oxalic acid;platinum(2+);hydrate with MolForge

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Related Compounds

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CID 59981811
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CID 58972251
acetic acid;4,5-diethyl-9,24-bis(3-hydroxypropyl)-10,23-dimethyl-13,20,26-triaza-25,27-diazanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(24),3,5,7,9,11(26),12,14,16,18,20,22-dodecaen-2-one;lutetium
CID 11285803
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dizinc;methanol;11,20,36,45-tetrabutyl-15,16,40,41-tetraethyl-3,28-dimethoxy-10,21,35,46-tetramethyl-54,56,60,62-tetraza-53,55,59,61-tetrazanidapentadecacyclo[28.20.2.25,26.17,24.19,12.114,17.119,22.132,49.134,37.139,42.144,47.02,29.04,27.06,25.031,50]dohexaconta-2,4(27),6,8,10,12(62),13,15,17,19(60),20,22,24,28,31,33,35,37(56),38,40,42,44(54),45,47,49-pentacosaene
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CID 4631008
bis((2-azanidylcyclohexyl)azanide);carbanide;4-(3-carboxypropylamino)-4-oxobutanoic acid;oxalic acid;4-phenylbutanoic acid;platinum;platinum(2+)
CID 158784974
3-[18-(3-acetyloxypropyl)-7,12-diethyl-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propyl acetate;cobalt(2+)
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copper methyl 3-[8,13,17-tris(3-methoxy-3-oxopropyl)-3,7,12,18-tetramethylporphyrin-21,23-diid-2-yl]propanoate
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copper methyl 3-[7,12-diethyl-15-(hydroxymethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate
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Frequently Asked Questions

What is the IUPAC name of (2-azanidylcyclohexyl)azanide;4-[3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propylamino]-4-oxobutanoic acid;manganese;nitric acid;oxalic acid;platinum(2+);hydrate?
The IUPAC name of (2-azanidylcyclohexyl)azanide;4-[3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propylamino]-4-oxobutanoic acid;manganese;nitric acid;oxalic acid;platinum(2+);hydrate (CID 176610816) is (2-azanidylcyclohexyl)azanide;4-[3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propylamino]-4-oxobutanoic acid;manganese;nitric acid;oxalic acid;platinum(2+);hydrate.
What is the SMILES notation for (2-azanidylcyclohexyl)azanide;4-[3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propylamino]-4-oxobutanoic acid;manganese;nitric acid;oxalic acid;platinum(2+);hydrate?
The canonical SMILES for (2-azanidylcyclohexyl)azanide;4-[3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propylamino]-4-oxobutanoic acid;manganese;nitric acid;oxalic acid;platinum(2+);hydrate is CCc1c(CC)c2cc3nc(cnc4cc(OCCOCCOCCOC)c(OCCOCCOCCOC)cc4ncc4nc(cc1[n-]2)C(CCCO)=C4C)C(C)=C3CCCNC(=O)CCC(=O)O.O.O=C(O)C(=O)O.O=[N+]([O-])O.[Mn].[NH-]C1CCCCC1[NH-].[Pt+2].
What is the InChIKey of (2-azanidylcyclohexyl)azanide;4-[3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propylamino]-4-oxobutanoic acid;manganese;nitric acid;oxalic acid;platinum(2+);hydrate?
The InChIKey is AHFSPFKEUHDCTH-UHFFFAOYSA-M. The full InChI is InChI=1S/C52H72N6O12.C6H12N2.C2H2O4.Mn.HNO3.H2O.Pt/c1-7-37-38(8-2)42-30-44-40(12-10-16-59)36(4)48(58-44)34-55-46-32-50(70-28-26-68-24-22-66-20-18-64-6)49(69-27-25-67-23-21-65-19-17-63-5)31-45(46)54-33-47-35(3)39(43(57-47)29-41(37)56-42)11-9-15-53-51(60)13-14-52(61)62;7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;;2-1(3)4;;/h29-34,59H,7-28H2,1-6H3,(H3,53,54,55,56,57,58,60,61,62);5-8H,1-4H2;(H,3,4)(H,5,6);;(H,2,3,4);1H2;/q;-2;;;;;+2/p-1.
What are the key properties of (2-azanidylcyclohexyl)azanide;4-[3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propylamino]-4-oxobutanoic acid;manganese;nitric acid;oxalic acid;platinum(2+);hydrate?
(2-azanidylcyclohexyl)azanide;4-[3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propylamino]-4-oxobutanoic acid;manganese;nitric acid;oxalic acid;platinum(2+);hydrate has a molecular weight of 1505.42 g/mol, XLogP of 6.98, 32 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azanidylcyclohexyl)azanide;4-[3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propylamino]-4-oxobutanoic acid;manganese;nitric acid;oxalic acid;platinum(2+);hydrate is sourced from PubChem (CID 176610816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).