(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;ethane;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;[(2Z)-penta-2,4-dien-2-yl]azanide;1,10-phenanthroline

C41H44F9N4OW- — CID 176659009

IUPAC(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;ethane;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;[(2Z)-penta-2,4-dien-2-yl]azanide;1,10-phenanthroline
SMILESC=C/C=C(/C)[NH-].CC.Cc1cccc(C)c1N=[W]=CC(C)(C)c1ccccc1.OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C10H12.C8H9N.C5H8N.C4HF9O.C2H6.W/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-10(2,3)9-7-5-4-6-8-9;1-6-4-3-5-7(2)8(6)9;1-3-4-5(2)6;5-2(6,7)1(14,3(8,9)10)4(11,12)13;1-2;/h1-8H;1,4-8H,2-3H3;3-5H,1-2H3;3-4,6H,1H2,2H3;14H;1-2H3;/q;;;-1;;;/b;;;5-4-;;;
InChIKeyQVUWXXZLHMWKSR-MTTZSZJRSA-N
MW963.65 g/mol
LogP13.32
Rot. Bonds4

About (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;ethane;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;[(2Z)-penta-2,4-dien-2-yl]azanide;1,10-phenanthroline

(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;ethane;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;[(2Z)-penta-2,4-dien-2-yl]azanide;1,10-phenanthroline (PubChem CID 176659009) has the molecular formula C41H44F9N4OW- and a molecular weight of 963.65 g/mol. Its IUPAC name is (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;ethane;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;[(2Z)-penta-2,4-dien-2-yl]azanide;1,10-phenanthroline.

Molecular Properties

Compound Name(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;ethane;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;[(2Z)-penta-2,4-dien-2-yl]azanide;1,10-phenanthroline
PubChem CID176659009
Molecular FormulaC41H44F9N4OW-
Molecular Weight963.65 g/mol
Exact Mass963.29
IUPAC Name(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;ethane;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;[(2Z)-penta-2,4-dien-2-yl]azanide;1,10-phenanthroline
SMILESC=C/C=C(/C)[NH-].CC.Cc1cccc(C)c1N=[W]=CC(C)(C)c1ccccc1.OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C10H12.C8H9N.C5H8N.C4HF9O.C2H6.W/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-10(2,3)9-7-5-4-6-8-9;1-6-4-3-5-7(2)8(6)9;1-3-4-5(2)6;5-2(6,7)1(14,3(8,9)10)4(11,12)13;1-2;/h1-8H;1,4-8H,2-3H3;3-5H,1-2H3;3-4,6H,1H2,2H3;14H;1-2H3;/q;;;-1;;;/b;;;5-4-;;;
InChIKeyQVUWXXZLHMWKSR-MTTZSZJRSA-N
XLogP13.32
TPSA82.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.65
LogP ≤ 513.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;ethane;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;[(2Z)-penta-2,4-dien-2-yl]azanide;1,10-phenanthroline with MolForge

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Related Compounds

[2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten
CID 140656795
1-(3-fluorophenyl)-1-quinolin-8-ylethanol
CID 81216618
8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline
CID 126516375
acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760
dichlorocopper;hydrogen peroxide;1,10-phenanthroline
CID 158916437
2,6-diphenylphenol;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);2-methoxy-6-methylphenol;4-methyl-2,6-diphenylphenol;2-methylpropan-2-ol;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol
CID 161075571
7-methyl-8-nitrosoquinoline
CID 88866337
CID 176659007
CID 176659007
(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);[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)tungsten;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2,3,4,5,6-pentafluorophenol
CID 157458416
copper;bis(2-methylbenzoate);1,10-phenanthroline
CID 139081296
(4-tert-butylphenyl)-quinolin-8-ylmethanone
CID 102581511
acetic acid;bis(tert-butyl(hydroxy)phosphinate);manganese(2+);bis(1,10-phenanthroline)
CID 139149043

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;ethane;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;[(2Z)-penta-2,4-dien-2-yl]azanide;1,10-phenanthroline?
The IUPAC name of (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;ethane;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;[(2Z)-penta-2,4-dien-2-yl]azanide;1,10-phenanthroline (CID 176659009) is (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;ethane;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;[(2Z)-penta-2,4-dien-2-yl]azanide;1,10-phenanthroline.
What is the SMILES notation for (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;ethane;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;[(2Z)-penta-2,4-dien-2-yl]azanide;1,10-phenanthroline?
The canonical SMILES for (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;ethane;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;[(2Z)-penta-2,4-dien-2-yl]azanide;1,10-phenanthroline is C=C/C=C(/C)[NH-].CC.Cc1cccc(C)c1N=[W]=CC(C)(C)c1ccccc1.OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;ethane;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;[(2Z)-penta-2,4-dien-2-yl]azanide;1,10-phenanthroline?
The InChIKey is QVUWXXZLHMWKSR-MTTZSZJRSA-N. The full InChI is InChI=1S/C12H8N2.C10H12.C8H9N.C5H8N.C4HF9O.C2H6.W/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-10(2,3)9-7-5-4-6-8-9;1-6-4-3-5-7(2)8(6)9;1-3-4-5(2)6;5-2(6,7)1(14,3(8,9)10)4(11,12)13;1-2;/h1-8H;1,4-8H,2-3H3;3-5H,1-2H3;3-4,6H,1H2,2H3;14H;1-2H3;/q;;;-1;;;/b;;;5-4-;;;.
What are the key properties of (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;ethane;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;[(2Z)-penta-2,4-dien-2-yl]azanide;1,10-phenanthroline?
(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;ethane;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;[(2Z)-penta-2,4-dien-2-yl]azanide;1,10-phenanthroline has a molecular weight of 963.65 g/mol, XLogP of 13.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;ethane;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;[(2Z)-penta-2,4-dien-2-yl]azanide;1,10-phenanthroline is sourced from PubChem (CID 176659009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).