(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;tris(2,5-dimethylpyrrol-1-ide);ethane;tris(3-fluoro-1-(3-fluoro-2-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum

C133H164Cl2F9Mo3N6O3-3 — CID 160655564

IUPAC(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;tris(2,5-dimethylpyrrol-1-ide);ethane;tris(3-fluoro-1-(3-fluoro-2-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum
SMILESCC.CC.CC.CC(C)(C)C=[Mo]=Nc1c(Cl)cccc1Cl.CC(C)(C=[Mo]=Nc1ccccc1C(F)(F)F)c1ccccc1.CC1C(c2c(O)c(F)cc3c2CCCC3)=C2CCCCC2=CC1F.CC1C(c2c(O)c(F)cc3c2CCCC3)=C2CCCCC2=CC1F.CC1C(c2c(O)c(F)cc3c2CCCC3)=C2CCCCC2=CC1F.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1
InChIInChI=1S/3C21H24F2O.2C10H12.C8H9N.C7H4F3N.C6H3Cl2N.3C6H8N.C5H10.3C2H6.3Mo/c3*1-12-17(22)10-13-6-2-4-8-15(13)19(12)20-16-9-5-3-7-14(16)11-18(23)21(20)24;2*1-10(2,3)9-7-5-4-6-8-9;1-6-4-3-5-7(2)8(6)9;8-7(9,10)5-3-1-2-4-6(5)11;7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;1-5(2,3)4;3*1-2;;;/h3*10-12,17,24H,2-9H2,1H3;2*1,4-8H,2-3H3;3-5H,1-2H3;1-4H;1-3H;3*3-4H,1-2H3;1H,2-4H3;3*1-2H3;;;/q;;;;;;;;3*-1;;;;;;;
InChIKeyCSXOZROKRBYYTJ-UHFFFAOYSA-N
MW2424.52 g/mol
LogP38.92
Rot. Bonds10

About (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;tris(2,5-dimethylpyrrol-1-ide);ethane;tris(3-fluoro-1-(3-fluoro-2-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum

(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;tris(2,5-dimethylpyrrol-1-ide);ethane;tris(3-fluoro-1-(3-fluoro-2-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum (PubChem CID 160655564) has the molecular formula C133H164Cl2F9Mo3N6O3-3 and a molecular weight of 2424.52 g/mol. Its IUPAC name is (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;tris(2,5-dimethylpyrrol-1-ide);ethane;tris(3-fluoro-1-(3-fluoro-2-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum.

Molecular Properties

Compound Name(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;tris(2,5-dimethylpyrrol-1-ide);ethane;tris(3-fluoro-1-(3-fluoro-2-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum
PubChem CID160655564
Molecular FormulaC133H164Cl2F9Mo3N6O3-3
Molecular Weight2424.52 g/mol
Exact Mass2427.93
IUPAC Name(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;tris(2,5-dimethylpyrrol-1-ide);ethane;tris(3-fluoro-1-(3-fluoro-2-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum
SMILESCC.CC.CC.CC(C)(C)C=[Mo]=Nc1c(Cl)cccc1Cl.CC(C)(C=[Mo]=Nc1ccccc1C(F)(F)F)c1ccccc1.CC1C(c2c(O)c(F)cc3c2CCCC3)=C2CCCCC2=CC1F.CC1C(c2c(O)c(F)cc3c2CCCC3)=C2CCCCC2=CC1F.CC1C(c2c(O)c(F)cc3c2CCCC3)=C2CCCCC2=CC1F.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1
InChIInChI=1S/3C21H24F2O.2C10H12.C8H9N.C7H4F3N.C6H3Cl2N.3C6H8N.C5H10.3C2H6.3Mo/c3*1-12-17(22)10-13-6-2-4-8-15(13)19(12)20-16-9-5-3-7-14(16)11-18(23)21(20)24;2*1-10(2,3)9-7-5-4-6-8-9;1-6-4-3-5-7(2)8(6)9;8-7(9,10)5-3-1-2-4-6(5)11;7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;1-5(2,3)4;3*1-2;;;/h3*10-12,17,24H,2-9H2,1H3;2*1,4-8H,2-3H3;3-5H,1-2H3;1-4H;1-3H;3*3-4H,1-2H3;1H,2-4H3;3*1-2H3;;;/q;;;;;;;;3*-1;;;;;;;
InChIKeyCSXOZROKRBYYTJ-UHFFFAOYSA-N
XLogP38.92
TPSA140.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002424.52
LogP ≤ 538.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;tris(2,5-dimethylpyrrol-1-ide);ethane;tris(3-fluoro-1-(3-fluoro-2-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;tris(2,5-dimethylpyrrol-1-ide);ethane;tris(3-fluoro-1-(3-fluoro-2-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum?
The IUPAC name of (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;tris(2,5-dimethylpyrrol-1-ide);ethane;tris(3-fluoro-1-(3-fluoro-2-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum (CID 160655564) is (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;tris(2,5-dimethylpyrrol-1-ide);ethane;tris(3-fluoro-1-(3-fluoro-2-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum.
What is the SMILES notation for (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;tris(2,5-dimethylpyrrol-1-ide);ethane;tris(3-fluoro-1-(3-fluoro-2-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum?
The canonical SMILES for (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;tris(2,5-dimethylpyrrol-1-ide);ethane;tris(3-fluoro-1-(3-fluoro-2-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum is CC.CC.CC.CC(C)(C)C=[Mo]=Nc1c(Cl)cccc1Cl.CC(C)(C=[Mo]=Nc1ccccc1C(F)(F)F)c1ccccc1.CC1C(c2c(O)c(F)cc3c2CCCC3)=C2CCCCC2=CC1F.CC1C(c2c(O)c(F)cc3c2CCCC3)=C2CCCCC2=CC1F.CC1C(c2c(O)c(F)cc3c2CCCC3)=C2CCCCC2=CC1F.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.
What is the InChIKey of (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;tris(2,5-dimethylpyrrol-1-ide);ethane;tris(3-fluoro-1-(3-fluoro-2-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum?
The InChIKey is CSXOZROKRBYYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H24F2O.2C10H12.C8H9N.C7H4F3N.C6H3Cl2N.3C6H8N.C5H10.3C2H6.3Mo/c3*1-12-17(22)10-13-6-2-4-8-15(13)19(12)20-16-9-5-3-7-14(16)11-18(23)21(20)24;2*1-10(2,3)9-7-5-4-6-8-9;1-6-4-3-5-7(2)8(6)9;8-7(9,10)5-3-1-2-4-6(5)11;7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;1-5(2,3)4;3*1-2;;;/h3*10-12,17,24H,2-9H2,1H3;2*1,4-8H,2-3H3;3-5H,1-2H3;1-4H;1-3H;3*3-4H,1-2H3;1H,2-4H3;3*1-2H3;;;/q;;;;;;;;3*-1;;;;;;;.
What are the key properties of (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;tris(2,5-dimethylpyrrol-1-ide);ethane;tris(3-fluoro-1-(3-fluoro-2-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum?
(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;tris(2,5-dimethylpyrrol-1-ide);ethane;tris(3-fluoro-1-(3-fluoro-2-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum has a molecular weight of 2424.52 g/mol, XLogP of 38.92, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;tris(2,5-dimethylpyrrol-1-ide);ethane;tris(3-fluoro-1-(3-fluoro-2-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum is sourced from PubChem (CID 160655564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).