azanide;carbanide;chloroplatinum;bis(dichloroplatinum(2+));hexakis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid);bis([3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] hydrogen carbonate);platinum(4+);bis(propan-2-ylazanide)

C197H301Cl5N8O32Pt4-3 — CID 167695560

IUPACazanide;carbanide;chloroplatinum;bis(dichloroplatinum(2+));hexakis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid);bis([3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] hydrogen carbonate);platinum(4+);bis(propan-2-ylazanide)
SMILESC=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OCCC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OCCC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OCCC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OCCC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OCCC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OCCC(=O)O.CC(C)[NH-].CC(C)[NH-].Cl[Pt+2]Cl.Cl[Pt+2]Cl.Cl[Pt].[CH3-].[CH3-].[CH3-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[Pt+4]
InChIInChI=1S/6C24H34O4.2C22H30O4.2C3H8N.3CH3.5ClH.6H2N.4Pt/c6*1-5-6-7-8-18-14-21(25)24(22(15-18)28-12-11-23(26)27)20-13-17(4)9-10-19(20)16(2)3;2*1-5-6-7-8-16-12-19(23)21(20(13-16)26-22(24)25)18-11-15(4)9-10-17(18)14(2)3;2*1-3(2)4;;;;;;;;;;;;;;;;;;/h6*13-15,19-20,25H,2,5-12H2,1,3-4H3,(H,26,27);2*11-13,17-18,23H,2,5-10H2,1,3-4H3,(H,24,25);2*3-4H,1-2H3;3*1H3;5*1H;6*1H2;;;;/q;;;;;;;;5*-1;;;;;;6*-1;+1;3*+4/p-5
InChIKeyTVCBBNIOOQJWCO-UHFFFAOYSA-I
MW4251.18 g/mol
LogP60.35
Rot. Bonds74

About azanide;carbanide;chloroplatinum;bis(dichloroplatinum(2+));hexakis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid);bis([3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] hydrogen carbonate);platinum(4+);bis(propan-2-ylazanide)

azanide;carbanide;chloroplatinum;bis(dichloroplatinum(2+));hexakis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid);bis([3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] hydrogen carbonate);platinum(4+);bis(propan-2-ylazanide) (PubChem CID 167695560) has the molecular formula C197H301Cl5N8O32Pt4-3 and a molecular weight of 4251.18 g/mol. Its IUPAC name is azanide;carbanide;chloroplatinum;bis(dichloroplatinum(2+));hexakis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid);bis([3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] hydrogen carbonate);platinum(4+);bis(propan-2-ylazanide).

Molecular Properties

Compound Nameazanide;carbanide;chloroplatinum;bis(dichloroplatinum(2+));hexakis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid);bis([3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] hydrogen carbonate);platinum(4+);bis(propan-2-ylazanide)
PubChem CID167695560
Molecular FormulaC197H301Cl5N8O32Pt4-3
Molecular Weight4251.18 g/mol
Exact Mass4245.92
IUPAC Nameazanide;carbanide;chloroplatinum;bis(dichloroplatinum(2+));hexakis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid);bis([3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] hydrogen carbonate);platinum(4+);bis(propan-2-ylazanide)
SMILESC=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OCCC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OCCC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OCCC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OCCC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OCCC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OCCC(=O)O.CC(C)[NH-].CC(C)[NH-].Cl[Pt+2]Cl.Cl[Pt+2]Cl.Cl[Pt].[CH3-].[CH3-].[CH3-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[Pt+4]
InChIInChI=1S/6C24H34O4.2C22H30O4.2C3H8N.3CH3.5ClH.6H2N.4Pt/c6*1-5-6-7-8-18-14-21(25)24(22(15-18)28-12-11-23(26)27)20-13-17(4)9-10-19(20)16(2)3;2*1-5-6-7-8-16-12-19(23)21(20(13-16)26-22(24)25)18-11-15(4)9-10-17(18)14(2)3;2*1-3(2)4;;;;;;;;;;;;;;;;;;/h6*13-15,19-20,25H,2,5-12H2,1,3-4H3,(H,26,27);2*11-13,17-18,23H,2,5-10H2,1,3-4H3,(H,24,25);2*3-4H,1-2H3;3*1H3;5*1H;6*1H2;;;;/q;;;;;;;;5*-1;;;;;;6*-1;+1;3*+4/p-5
InChIKeyTVCBBNIOOQJWCO-UHFFFAOYSA-I
XLogP60.35
TPSA782.68 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds74
Heavy Atoms246
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004251.18
LogP ≤ 560.35
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze azanide;carbanide;chloroplatinum;bis(dichloroplatinum(2+));hexakis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid);bis([3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] hydrogen carbonate);platinum(4+);bis(propan-2-ylazanide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of azanide;carbanide;chloroplatinum;bis(dichloroplatinum(2+));hexakis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid);bis([3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] hydrogen carbonate);platinum(4+);bis(propan-2-ylazanide)?
The IUPAC name of azanide;carbanide;chloroplatinum;bis(dichloroplatinum(2+));hexakis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid);bis([3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] hydrogen carbonate);platinum(4+);bis(propan-2-ylazanide) (CID 167695560) is azanide;carbanide;chloroplatinum;bis(dichloroplatinum(2+));hexakis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid);bis([3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] hydrogen carbonate);platinum(4+);bis(propan-2-ylazanide).
What is the SMILES notation for azanide;carbanide;chloroplatinum;bis(dichloroplatinum(2+));hexakis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid);bis([3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] hydrogen carbonate);platinum(4+);bis(propan-2-ylazanide)?
The canonical SMILES for azanide;carbanide;chloroplatinum;bis(dichloroplatinum(2+));hexakis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid);bis([3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] hydrogen carbonate);platinum(4+);bis(propan-2-ylazanide) is C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OCCC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OCCC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OCCC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OCCC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OCCC(=O)O.C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OCCC(=O)O.CC(C)[NH-].CC(C)[NH-].Cl[Pt+2]Cl.Cl[Pt+2]Cl.Cl[Pt].[CH3-].[CH3-].[CH3-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[Pt+4].
What is the InChIKey of azanide;carbanide;chloroplatinum;bis(dichloroplatinum(2+));hexakis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid);bis([3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] hydrogen carbonate);platinum(4+);bis(propan-2-ylazanide)?
The InChIKey is TVCBBNIOOQJWCO-UHFFFAOYSA-I. The full InChI is InChI=1S/6C24H34O4.2C22H30O4.2C3H8N.3CH3.5ClH.6H2N.4Pt/c6*1-5-6-7-8-18-14-21(25)24(22(15-18)28-12-11-23(26)27)20-13-17(4)9-10-19(20)16(2)3;2*1-5-6-7-8-16-12-19(23)21(20(13-16)26-22(24)25)18-11-15(4)9-10-17(18)14(2)3;2*1-3(2)4;;;;;;;;;;;;;;;;;;/h6*13-15,19-20,25H,2,5-12H2,1,3-4H3,(H,26,27);2*11-13,17-18,23H,2,5-10H2,1,3-4H3,(H,24,25);2*3-4H,1-2H3;3*1H3;5*1H;6*1H2;;;;/q;;;;;;;;5*-1;;;;;;6*-1;+1;3*+4/p-5.
What are the key properties of azanide;carbanide;chloroplatinum;bis(dichloroplatinum(2+));hexakis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid);bis([3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] hydrogen carbonate);platinum(4+);bis(propan-2-ylazanide)?
azanide;carbanide;chloroplatinum;bis(dichloroplatinum(2+));hexakis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid);bis([3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] hydrogen carbonate);platinum(4+);bis(propan-2-ylazanide) has a molecular weight of 4251.18 g/mol, XLogP of 60.35, 74 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;carbanide;chloroplatinum;bis(dichloroplatinum(2+));hexakis(3-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]propanoic acid);bis([3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] hydrogen carbonate);platinum(4+);bis(propan-2-ylazanide) is sourced from PubChem (CID 167695560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).