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)

C146H166BrCl4F7MoN8O4W3-4 — CID 159789096

IUPAC1-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)
SMILESCC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.Cc1cc(C)c(-c2cc(F)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.c1cc[n-]c1
InChIInChI=1S/C24H25FO.C18H13BrO.C12H17N.C10H15N.2C10H12.2C9H9F3O.2C6H3Cl2N.3C6H8N.2C5H10.C4H4N.Mo.3W/c1-13-7-15(3)22(16(4)8-13)20-11-19(25)12-21(24(20)26)23-17(5)9-14(2)10-18(23)6;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;1-8(2)10-6-5-7-11(9(3)4)12(10)13;11-10-4-7-1-8(5-10)3-9(2-7)6-10;2*1-10(2,3)9-7-5-4-6-8-9;2*1-8(13,9(10,11)12)7-5-3-2-4-6-7;2*7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;2*1-5(2,3)4;1-2-4-5-3-1;;;;/h7-12,26H,1-6H3;1-12,20H;5-9H,1-4H3;7-9H,1-6H2;2*1,4-8H,2-3H3;2*2-6,13H,1H3;2*1-3H;3*3-4H,1-2H3;2*1H,2-4H3;1-4H;;;;/q;;;;;;;;;;3*-1;;;-1;;;;
InChIKeyNFWXUFMHZBCNNU-UHFFFAOYSA-N
MW3099.15 g/mol
LogP42.63
Rot. Bonds16

About 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)

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) (PubChem CID 159789096) has the molecular formula C146H166BrCl4F7MoN8O4W3-4 and a molecular weight of 3099.15 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name1-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)
PubChem CID159789096
Molecular FormulaC146H166BrCl4F7MoN8O4W3-4
Molecular Weight3099.15 g/mol
Exact Mass3096.85
IUPAC Name1-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)
SMILESCC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.Cc1cc(C)c(-c2cc(F)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.c1cc[n-]c1
InChIInChI=1S/C24H25FO.C18H13BrO.C12H17N.C10H15N.2C10H12.2C9H9F3O.2C6H3Cl2N.3C6H8N.2C5H10.C4H4N.Mo.3W/c1-13-7-15(3)22(16(4)8-13)20-11-19(25)12-21(24(20)26)23-17(5)9-14(2)10-18(23)6;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;1-8(2)10-6-5-7-11(9(3)4)12(10)13;11-10-4-7-1-8(5-10)3-9(2-7)6-10;2*1-10(2,3)9-7-5-4-6-8-9;2*1-8(13,9(10,11)12)7-5-3-2-4-6-7;2*7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;2*1-5(2,3)4;1-2-4-5-3-1;;;;/h7-12,26H,1-6H3;1-12,20H;5-9H,1-4H3;7-9H,1-6H2;2*1,4-8H,2-3H3;2*2-6,13H,1H3;2*1-3H;3*3-4H,1-2H3;2*1H,2-4H3;1-4H;;;;/q;;;;;;;;;;3*-1;;;-1;;;;
InChIKeyNFWXUFMHZBCNNU-UHFFFAOYSA-N
XLogP42.63
TPSA186.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms174
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003099.15
LogP ≤ 542.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 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) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.Cc1cc(C)c(-c2cc(F)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.c1cc[n-]c1.
What is the InChIKey of 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)?
The InChIKey is NFWXUFMHZBCNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FO.C18H13BrO.C12H17N.C10H15N.2C10H12.2C9H9F3O.2C6H3Cl2N.3C6H8N.2C5H10.C4H4N.Mo.3W/c1-13-7-15(3)22(16(4)8-13)20-11-19(25)12-21(24(20)26)23-17(5)9-14(2)10-18(23)6;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;1-8(2)10-6-5-7-11(9(3)4)12(10)13;11-10-4-7-1-8(5-10)3-9(2-7)6-10;2*1-10(2,3)9-7-5-4-6-8-9;2*1-8(13,9(10,11)12)7-5-3-2-4-6-7;2*7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;2*1-5(2,3)4;1-2-4-5-3-1;;;;/h7-12,26H,1-6H3;1-12,20H;5-9H,1-4H3;7-9H,1-6H2;2*1,4-8H,2-3H3;2*2-6,13H,1H3;2*1-3H;3*3-4H,1-2H3;2*1H,2-4H3;1-4H;;;;/q;;;;;;;;;;3*-1;;;-1;;;;.
What are the key properties of 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)?
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) has a molecular weight of 3099.15 g/mol, XLogP of 42.63, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 159789096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).