1-adamantylimino(2,2-dimethylpropylidene)molybdenum;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;2,5-dimethylpyrrol-1-ide

C46H57MoN2O- — CID 58460810

IUPAC1-adamantylimino(2,2-dimethylpropylidene)molybdenum;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;2,5-dimethylpyrrol-1-ide
SMILESCC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.Cc1cc2ccccc2c(CCc2c(O)c(C)cc3ccccc23)c1C.Cc1ccc(C)[n-]1
InChIInChI=1S/C25H24O.C10H15N.C6H8N.C5H10.Mo/c1-16-14-19-8-4-6-10-22(19)21(18(16)3)12-13-24-23-11-7-5-9-20(23)15-17(2)25(24)26;11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-5-3-4-6(2)7-5;1-5(2,3)4;/h4-11,14-15,26H,12-13H2,1-3H3;7-9H,1-6H2;3-4H,1-2H3;1H,2-4H3;/q;;-1;;
InChIKeyCBNLFIDMOHVSHM-UHFFFAOYSA-N
MW749.92 g/mol
LogP11.74
Rot. Bonds4

About 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;2,5-dimethylpyrrol-1-ide

1-adamantylimino(2,2-dimethylpropylidene)molybdenum;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;2,5-dimethylpyrrol-1-ide (PubChem CID 58460810) has the molecular formula C46H57MoN2O- and a molecular weight of 749.92 g/mol. Its IUPAC name is 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;2,5-dimethylpyrrol-1-ide.

Molecular Properties

Compound Name1-adamantylimino(2,2-dimethylpropylidene)molybdenum;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;2,5-dimethylpyrrol-1-ide
PubChem CID58460810
Molecular FormulaC46H57MoN2O-
Molecular Weight749.92 g/mol
Exact Mass751.35
IUPAC Name1-adamantylimino(2,2-dimethylpropylidene)molybdenum;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;2,5-dimethylpyrrol-1-ide
SMILESCC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.Cc1cc2ccccc2c(CCc2c(O)c(C)cc3ccccc23)c1C.Cc1ccc(C)[n-]1
InChIInChI=1S/C25H24O.C10H15N.C6H8N.C5H10.Mo/c1-16-14-19-8-4-6-10-22(19)21(18(16)3)12-13-24-23-11-7-5-9-20(23)15-17(2)25(24)26;11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-5-3-4-6(2)7-5;1-5(2,3)4;/h4-11,14-15,26H,12-13H2,1-3H3;7-9H,1-6H2;3-4H,1-2H3;1H,2-4H3;/q;;-1;;
InChIKeyCBNLFIDMOHVSHM-UHFFFAOYSA-N
XLogP11.74
TPSA46.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.92
LogP ≤ 511.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;[2,6-di(propan-2-yl)phenyl]iminotungsten;propane;tris(pyrrol-1-ide)
CID 162036666
1-heptyl-3-methylnaphthalen-2-ol
CID 135074977
1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;dihydrate
CID 134940199
1-adamantylimino(2,2-dimethylpropylidene)molybdenum(2+);bis(2,5-dimethylpyrrol-1-ide)
CID 58460707
3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-methylnaphthalen-1-yl)naphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 160542334
1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis(2,4,6-trimethylphenyl)phenol;3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);methane;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum
CID 159705863
1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tetrakis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;bis((2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum
CID 160723269
2-fluoro-3-methylnaphthalen-1-ol
CID 150732713
1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-diphenylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)
CID 159789096
1-butylnaphthalene-2,3-diol;1,4-dimethylnaphthalene-2,3-diol
CID 67610713
2-(1-adamantyliminomethyl)-6-tert-butylphenol
CID 136773230
bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(2,5-dimethylpyrrol-1-ide)
CID 161211592

Frequently Asked Questions

What is the IUPAC name of 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;2,5-dimethylpyrrol-1-ide?
The IUPAC name of 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;2,5-dimethylpyrrol-1-ide (CID 58460810) is 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;2,5-dimethylpyrrol-1-ide.
What is the SMILES notation for 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;2,5-dimethylpyrrol-1-ide?
The canonical SMILES for 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;2,5-dimethylpyrrol-1-ide is CC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.Cc1cc2ccccc2c(CCc2c(O)c(C)cc3ccccc23)c1C.Cc1ccc(C)[n-]1.
What is the InChIKey of 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;2,5-dimethylpyrrol-1-ide?
The InChIKey is CBNLFIDMOHVSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O.C10H15N.C6H8N.C5H10.Mo/c1-16-14-19-8-4-6-10-22(19)21(18(16)3)12-13-24-23-11-7-5-9-20(23)15-17(2)25(24)26;11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-5-3-4-6(2)7-5;1-5(2,3)4;/h4-11,14-15,26H,12-13H2,1-3H3;7-9H,1-6H2;3-4H,1-2H3;1H,2-4H3;/q;;-1;;.
What are the key properties of 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;2,5-dimethylpyrrol-1-ide?
1-adamantylimino(2,2-dimethylpropylidene)molybdenum;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;2,5-dimethylpyrrol-1-ide has a molecular weight of 749.92 g/mol, XLogP of 11.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;2,5-dimethylpyrrol-1-ide is sourced from PubChem (CID 58460810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).