azanide;carbanide;cyclododecylcarbamic acid;tris(dichloroplatinum(2+));bis(difluoromethane);bis(2-fluoroethylcarbamic acid);[(1R,2R)-2-methanidylcyclohexyl]azanide;octylcarbamic acid;bis(tetrafluoromethane)

C63H127Cl6F14N9O12Pt3 — CID 158980043

IUPACazanide;carbanide;cyclododecylcarbamic acid;tris(dichloroplatinum(2+));bis(difluoromethane);bis(2-fluoroethylcarbamic acid);[(1R,2R)-2-methanidylcyclohexyl]azanide;octylcarbamic acid;bis(tetrafluoromethane)
SMILESCCCCCCCCNC(=O)O.CCCCCCCCNC(=O)O.Cl[Pt+2]Cl.Cl[Pt+2]Cl.Cl[Pt+2]Cl.FC(F)(F)F.FC(F)(F)F.FCF.FCF.O=C(O)NC1CCCCCCCCCCC1.O=C(O)NC1CCCCCCCCCCC1.O=C(O)NCCF.O=C(O)NCCF.[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH3-].[CH3-].[NH2-].[NH2-]
InChIInChI=1S/2C13H25NO2.2C9H19NO2.C7H13N.2C3H6FNO2.2CF4.2CH2F2.2CH3.6ClH.2H2N.3Pt/c2*15-13(16)14-12-10-8-6-4-2-1-3-5-7-9-11-12;2*1-2-3-4-5-6-7-8-10-9(11)12;1-6-4-2-3-5-7(6)8;2*4-1-2-5-3(6)7;2*2-1(3,4)5;2*2-1-3;;;;;;;;;;;;;/h2*12,14H,1-11H2,(H,15,16);2*10H,2-8H2,1H3,(H,11,12);6-8H,1-5H2;2*5H,1-2H2,(H,6,7);;;2*1H2;2*1H3;6*1H;2*1H2;;;/q;;;;-2;;;;;;;2*-1;;;;;;;2*-1;3*+4/p-6/t;;;;6-,7-;;;;;;;;;;;;;;;;;;;/m....1.................../s1
InChIKeyRIHIXEJKKRNVPZ-FTCOHXQNSA-H
MW2266.68 g/mol
LogP27.14
Rot. Bonds20

About azanide;carbanide;cyclododecylcarbamic acid;tris(dichloroplatinum(2+));bis(difluoromethane);bis(2-fluoroethylcarbamic acid);[(1R,2R)-2-methanidylcyclohexyl]azanide;octylcarbamic acid;bis(tetrafluoromethane)

azanide;carbanide;cyclododecylcarbamic acid;tris(dichloroplatinum(2+));bis(difluoromethane);bis(2-fluoroethylcarbamic acid);[(1R,2R)-2-methanidylcyclohexyl]azanide;octylcarbamic acid;bis(tetrafluoromethane) (PubChem CID 158980043) has the molecular formula C63H127Cl6F14N9O12Pt3 and a molecular weight of 2266.68 g/mol. Its IUPAC name is azanide;carbanide;cyclododecylcarbamic acid;tris(dichloroplatinum(2+));bis(difluoromethane);bis(2-fluoroethylcarbamic acid);[(1R,2R)-2-methanidylcyclohexyl]azanide;octylcarbamic acid;bis(tetrafluoromethane).

Molecular Properties

Compound Nameazanide;carbanide;cyclododecylcarbamic acid;tris(dichloroplatinum(2+));bis(difluoromethane);bis(2-fluoroethylcarbamic acid);[(1R,2R)-2-methanidylcyclohexyl]azanide;octylcarbamic acid;bis(tetrafluoromethane)
PubChem CID158980043
Molecular FormulaC63H127Cl6F14N9O12Pt3
Molecular Weight2266.68 g/mol
Exact Mass2262.65
IUPAC Nameazanide;carbanide;cyclododecylcarbamic acid;tris(dichloroplatinum(2+));bis(difluoromethane);bis(2-fluoroethylcarbamic acid);[(1R,2R)-2-methanidylcyclohexyl]azanide;octylcarbamic acid;bis(tetrafluoromethane)
SMILESCCCCCCCCNC(=O)O.CCCCCCCCNC(=O)O.Cl[Pt+2]Cl.Cl[Pt+2]Cl.Cl[Pt+2]Cl.FC(F)(F)F.FC(F)(F)F.FCF.FCF.O=C(O)NC1CCCCCCCCCCC1.O=C(O)NC1CCCCCCCCCCC1.O=C(O)NCCF.O=C(O)NCCF.[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH3-].[CH3-].[NH2-].[NH2-]
InChIInChI=1S/2C13H25NO2.2C9H19NO2.C7H13N.2C3H6FNO2.2CF4.2CH2F2.2CH3.6ClH.2H2N.3Pt/c2*15-13(16)14-12-10-8-6-4-2-1-3-5-7-9-11-12;2*1-2-3-4-5-6-7-8-10-9(11)12;1-6-4-2-3-5-7(6)8;2*4-1-2-5-3(6)7;2*2-1(3,4)5;2*2-1-3;;;;;;;;;;;;;/h2*12,14H,1-11H2,(H,15,16);2*10H,2-8H2,1H3,(H,11,12);6-8H,1-5H2;2*5H,1-2H2,(H,6,7);;;2*1H2;2*1H3;6*1H;2*1H2;;;/q;;;;-2;;;;;;;2*-1;;;;;;;2*-1;3*+4/p-6/t;;;;6-,7-;;;;;;;;;;;;;;;;;;;/m....1.................../s1
InChIKeyRIHIXEJKKRNVPZ-FTCOHXQNSA-H
XLogP27.14
TPSA386.78 Ų
H-Bond Donors12
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002266.68
LogP ≤ 527.14
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze azanide;carbanide;cyclododecylcarbamic acid;tris(dichloroplatinum(2+));bis(difluoromethane);bis(2-fluoroethylcarbamic acid);[(1R,2R)-2-methanidylcyclohexyl]azanide;octylcarbamic acid;bis(tetrafluoromethane) with MolForge

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Related Compounds

pentakis(dichloroplatinum(2+));tris(ethane-1,2-diol);pentakis([(1R,2R)-2-methanidylcyclohexyl]azanide);methanol;octadecanoic acid;propanoic acid;2,4,4-trimethylpentan-2-ylcarbamic acid
CID 158018854
azanide;dichloroplatinum(2+);hexadecylcarbamic acid;4-(hexylamino)-4-oxobutanoic acid
CID 164784563
N'-cyclopentyl-N-pentylpropanediamide
CID 108942192
dichloroplatinum(2+);[(1S,2R)-2-methanidylcyclohexyl]azanide
CID 160751688
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide
CID 111161669
1-cyclopentyl-3-heptylthiourea
CID 19650876
3-cyclohexyl-N-undecylpropanamide
CID 5146202
N-cyclohexyl-2-(hexadecylamino)acetamide
CID 54808904
(2-methanidylcyclohexyl)azanide;oxalic acid;platinum(2+);propanoic acid
CID 152918298
1-hexyl-3-[4-(octylcarbamoylamino)cyclohexyl]urea
CID 10200800

Frequently Asked Questions

What is the IUPAC name of azanide;carbanide;cyclododecylcarbamic acid;tris(dichloroplatinum(2+));bis(difluoromethane);bis(2-fluoroethylcarbamic acid);[(1R,2R)-2-methanidylcyclohexyl]azanide;octylcarbamic acid;bis(tetrafluoromethane)?
The IUPAC name of azanide;carbanide;cyclododecylcarbamic acid;tris(dichloroplatinum(2+));bis(difluoromethane);bis(2-fluoroethylcarbamic acid);[(1R,2R)-2-methanidylcyclohexyl]azanide;octylcarbamic acid;bis(tetrafluoromethane) (CID 158980043) is azanide;carbanide;cyclododecylcarbamic acid;tris(dichloroplatinum(2+));bis(difluoromethane);bis(2-fluoroethylcarbamic acid);[(1R,2R)-2-methanidylcyclohexyl]azanide;octylcarbamic acid;bis(tetrafluoromethane).
What is the SMILES notation for azanide;carbanide;cyclododecylcarbamic acid;tris(dichloroplatinum(2+));bis(difluoromethane);bis(2-fluoroethylcarbamic acid);[(1R,2R)-2-methanidylcyclohexyl]azanide;octylcarbamic acid;bis(tetrafluoromethane)?
The canonical SMILES for azanide;carbanide;cyclododecylcarbamic acid;tris(dichloroplatinum(2+));bis(difluoromethane);bis(2-fluoroethylcarbamic acid);[(1R,2R)-2-methanidylcyclohexyl]azanide;octylcarbamic acid;bis(tetrafluoromethane) is CCCCCCCCNC(=O)O.CCCCCCCCNC(=O)O.Cl[Pt+2]Cl.Cl[Pt+2]Cl.Cl[Pt+2]Cl.FC(F)(F)F.FC(F)(F)F.FCF.FCF.O=C(O)NC1CCCCCCCCCCC1.O=C(O)NC1CCCCCCCCCCC1.O=C(O)NCCF.O=C(O)NCCF.[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH3-].[CH3-].[NH2-].[NH2-].
What is the InChIKey of azanide;carbanide;cyclododecylcarbamic acid;tris(dichloroplatinum(2+));bis(difluoromethane);bis(2-fluoroethylcarbamic acid);[(1R,2R)-2-methanidylcyclohexyl]azanide;octylcarbamic acid;bis(tetrafluoromethane)?
The InChIKey is RIHIXEJKKRNVPZ-FTCOHXQNSA-H. The full InChI is InChI=1S/2C13H25NO2.2C9H19NO2.C7H13N.2C3H6FNO2.2CF4.2CH2F2.2CH3.6ClH.2H2N.3Pt/c2*15-13(16)14-12-10-8-6-4-2-1-3-5-7-9-11-12;2*1-2-3-4-5-6-7-8-10-9(11)12;1-6-4-2-3-5-7(6)8;2*4-1-2-5-3(6)7;2*2-1(3,4)5;2*2-1-3;;;;;;;;;;;;;/h2*12,14H,1-11H2,(H,15,16);2*10H,2-8H2,1H3,(H,11,12);6-8H,1-5H2;2*5H,1-2H2,(H,6,7);;;2*1H2;2*1H3;6*1H;2*1H2;;;/q;;;;-2;;;;;;;2*-1;;;;;;;2*-1;3*+4/p-6/t;;;;6-,7-;;;;;;;;;;;;;;;;;;;/m....1.................../s1.
What are the key properties of azanide;carbanide;cyclododecylcarbamic acid;tris(dichloroplatinum(2+));bis(difluoromethane);bis(2-fluoroethylcarbamic acid);[(1R,2R)-2-methanidylcyclohexyl]azanide;octylcarbamic acid;bis(tetrafluoromethane)?
azanide;carbanide;cyclododecylcarbamic acid;tris(dichloroplatinum(2+));bis(difluoromethane);bis(2-fluoroethylcarbamic acid);[(1R,2R)-2-methanidylcyclohexyl]azanide;octylcarbamic acid;bis(tetrafluoromethane) has a molecular weight of 2266.68 g/mol, XLogP of 27.14, 20 rotatable bonds, 12 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;carbanide;cyclododecylcarbamic acid;tris(dichloroplatinum(2+));bis(difluoromethane);bis(2-fluoroethylcarbamic acid);[(1R,2R)-2-methanidylcyclohexyl]azanide;octylcarbamic acid;bis(tetrafluoromethane) is sourced from PubChem (CID 158980043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).