argon;carbanide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);imino-(2-methyl-2-phenylpropylidene)molybdenum;imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);tris(2-methylpropan-2-ol);bis(1,10-phenanthroline);bis(2-pyridin-2-ylpyridine);1,1,1-trifluoro-2-methylpropan-2-ol

C128H165Ar2F3Mo4N12O4 — CID 159810920

IUPACargon;carbanide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);imino-(2-methyl-2-phenylpropylidene)molybdenum;imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);tris(2-methylpropan-2-ol);bis(1,10-phenanthroline);bis(2-pyridin-2-ylpyridine);1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C=[Mo+2]=N)c1ccccc1.CC(C)(C=[Mo]=N)c1ccccc1.CC(C)(O)C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo+2]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.[Ar].[Ar].[CH3-].[CH3-].[CH3-].[CH3-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C12H17N.2C10H8N2.4C10H12.C4H7F3O.3C4H10O.4CH3.2Ar.4Mo.2HN/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-10(2,3)9-7-5-4-6-8-9;1-3(2,8)4(5,6)7;3*1-4(2,3)5;;;;;;;;;;;;/h2*1-8H;2*5-9H,1-4H3;2*1-8H;4*1,4-8H,2-3H3;8H,1-2H3;3*5H,1-3H3;4*1H3;;;;;;;2*1H/q;;;;;;;;;;;;;;4*-1;;;;;2*+2;;
InChIKeyBLKAENKJOKEPLP-UHFFFAOYSA-N
MW2456.46 g/mol
LogP33.75
Rot. Bonds16

About argon;carbanide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);imino-(2-methyl-2-phenylpropylidene)molybdenum;imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);tris(2-methylpropan-2-ol);bis(1,10-phenanthroline);bis(2-pyridin-2-ylpyridine);1,1,1-trifluoro-2-methylpropan-2-ol

argon;carbanide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);imino-(2-methyl-2-phenylpropylidene)molybdenum;imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);tris(2-methylpropan-2-ol);bis(1,10-phenanthroline);bis(2-pyridin-2-ylpyridine);1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 159810920) has the molecular formula C128H165Ar2F3Mo4N12O4 and a molecular weight of 2456.46 g/mol. Its IUPAC name is argon;carbanide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);imino-(2-methyl-2-phenylpropylidene)molybdenum;imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);tris(2-methylpropan-2-ol);bis(1,10-phenanthroline);bis(2-pyridin-2-ylpyridine);1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Nameargon;carbanide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);imino-(2-methyl-2-phenylpropylidene)molybdenum;imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);tris(2-methylpropan-2-ol);bis(1,10-phenanthroline);bis(2-pyridin-2-ylpyridine);1,1,1-trifluoro-2-methylpropan-2-ol
PubChem CID159810920
Molecular FormulaC128H165Ar2F3Mo4N12O4
Molecular Weight2456.46 g/mol
Exact Mass2462.85
IUPAC Nameargon;carbanide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);imino-(2-methyl-2-phenylpropylidene)molybdenum;imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);tris(2-methylpropan-2-ol);bis(1,10-phenanthroline);bis(2-pyridin-2-ylpyridine);1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C=[Mo+2]=N)c1ccccc1.CC(C)(C=[Mo]=N)c1ccccc1.CC(C)(O)C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo+2]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.[Ar].[Ar].[CH3-].[CH3-].[CH3-].[CH3-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C12H17N.2C10H8N2.4C10H12.C4H7F3O.3C4H10O.4CH3.2Ar.4Mo.2HN/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-10(2,3)9-7-5-4-6-8-9;1-3(2,8)4(5,6)7;3*1-4(2,3)5;;;;;;;;;;;;/h2*1-8H;2*5-9H,1-4H3;2*1-8H;4*1,4-8H,2-3H3;8H,1-2H3;3*5H,1-3H3;4*1H3;;;;;;;2*1H/q;;;;;;;;;;;;;;4*-1;;;;;2*+2;;
InChIKeyBLKAENKJOKEPLP-UHFFFAOYSA-N
XLogP33.75
TPSA256.46 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002456.46
LogP ≤ 533.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze argon;carbanide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);imino-(2-methyl-2-phenylpropylidene)molybdenum;imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);tris(2-methylpropan-2-ol);bis(1,10-phenanthroline);bis(2-pyridin-2-ylpyridine);1,1,1-trifluoro-2-methylpropan-2-ol with MolForge

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Related Compounds

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CID 139167986
disilver;bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1,10-phenanthroline)
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Oxidanium;ZINC;9-[6-[6-(6-acridin-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]acridine;1,10-phenanthroline;bis(trifluoromethanesulfonate)
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Cobalt(3+);tris(1,10-phenanthroline);perchlorate
CID 176468466
2-[3-[1,1,1,3,3,3-Hexafluoro-2-[4-(1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-1,10-phenanthroline
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(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethyl-3H-pyrrole;1,10-phenanthroline;1,1,1-trifluoro-2-phenylpropan-2-ol
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2,5-Dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1,10-phenanthroline;1,1,1-trifluoro-2-phenylpropan-2-ol
CID 148404740

Frequently Asked Questions

What is the IUPAC name of argon;carbanide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);imino-(2-methyl-2-phenylpropylidene)molybdenum;imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);tris(2-methylpropan-2-ol);bis(1,10-phenanthroline);bis(2-pyridin-2-ylpyridine);1,1,1-trifluoro-2-methylpropan-2-ol?
The IUPAC name of argon;carbanide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);imino-(2-methyl-2-phenylpropylidene)molybdenum;imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);tris(2-methylpropan-2-ol);bis(1,10-phenanthroline);bis(2-pyridin-2-ylpyridine);1,1,1-trifluoro-2-methylpropan-2-ol (CID 159810920) is argon;carbanide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);imino-(2-methyl-2-phenylpropylidene)molybdenum;imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);tris(2-methylpropan-2-ol);bis(1,10-phenanthroline);bis(2-pyridin-2-ylpyridine);1,1,1-trifluoro-2-methylpropan-2-ol.
What is the SMILES notation for argon;carbanide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);imino-(2-methyl-2-phenylpropylidene)molybdenum;imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);tris(2-methylpropan-2-ol);bis(1,10-phenanthroline);bis(2-pyridin-2-ylpyridine);1,1,1-trifluoro-2-methylpropan-2-ol?
The canonical SMILES for argon;carbanide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);imino-(2-methyl-2-phenylpropylidene)molybdenum;imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);tris(2-methylpropan-2-ol);bis(1,10-phenanthroline);bis(2-pyridin-2-ylpyridine);1,1,1-trifluoro-2-methylpropan-2-ol is CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C=[Mo+2]=N)c1ccccc1.CC(C)(C=[Mo]=N)c1ccccc1.CC(C)(O)C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo+2]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.[Ar].[Ar].[CH3-].[CH3-].[CH3-].[CH3-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of argon;carbanide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);imino-(2-methyl-2-phenylpropylidene)molybdenum;imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);tris(2-methylpropan-2-ol);bis(1,10-phenanthroline);bis(2-pyridin-2-ylpyridine);1,1,1-trifluoro-2-methylpropan-2-ol?
The InChIKey is BLKAENKJOKEPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.2C12H17N.2C10H8N2.4C10H12.C4H7F3O.3C4H10O.4CH3.2Ar.4Mo.2HN/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-10(2,3)9-7-5-4-6-8-9;1-3(2,8)4(5,6)7;3*1-4(2,3)5;;;;;;;;;;;;/h2*1-8H;2*5-9H,1-4H3;2*1-8H;4*1,4-8H,2-3H3;8H,1-2H3;3*5H,1-3H3;4*1H3;;;;;;;2*1H/q;;;;;;;;;;;;;;4*-1;;;;;2*+2;;.
What are the key properties of argon;carbanide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);imino-(2-methyl-2-phenylpropylidene)molybdenum;imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);tris(2-methylpropan-2-ol);bis(1,10-phenanthroline);bis(2-pyridin-2-ylpyridine);1,1,1-trifluoro-2-methylpropan-2-ol?
argon;carbanide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);imino-(2-methyl-2-phenylpropylidene)molybdenum;imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);tris(2-methylpropan-2-ol);bis(1,10-phenanthroline);bis(2-pyridin-2-ylpyridine);1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 2456.46 g/mol, XLogP of 33.75, 16 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for argon;carbanide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);imino-(2-methyl-2-phenylpropylidene)molybdenum;imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);tris(2-methylpropan-2-ol);bis(1,10-phenanthroline);bis(2-pyridin-2-ylpyridine);1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 159810920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).