1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);ethane;bis(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

C148H190Cl2F7Mo2N6O3W-3 — CID 161362217

IUPAC1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);ethane;bis(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(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)(C=[Mo]=Nc1ccccc1C(F)(F)F)c1ccccc1.CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.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
InChIInChI=1S/C36H50O.2C21H24F2O.C10H15N.2C10H12.C7H4F3N.C6H3Cl2N.3C6H8N.C5H10.2C2H6.2Mo.W/c1-20(2)26-16-30(22(5)6)34(31(17-26)23(7)8)28-14-13-15-29(36(28)37)35-32(24(9)10)18-27(21(3)4)19-33(35)25(11)12;2*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;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;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;2*1-2;;;/h13-25,37H,1-12H3;2*10-12,17,24H,2-9H2,1H3;7-9H,1-6H2;2*1,4-8H,2-3H3;1-4H;1-3H;3*3-4H,1-2H3;1H,2-4H3;2*1-2H3;;;/q;;;;;;;;3*-1;;;;;;
InChIKeyYTNYMYHDGDAFER-UHFFFAOYSA-N
MW2680.80 g/mol
LogP43.73
Rot. Bonds17

About 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);ethane;bis(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

1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);ethane;bis(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 161362217) has the molecular formula C148H190Cl2F7Mo2N6O3W-3 and a molecular weight of 2680.80 g/mol. Its IUPAC name is 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);ethane;bis(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 Name1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);ethane;bis(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 CID161362217
Molecular FormulaC148H190Cl2F7Mo2N6O3W-3
Molecular Weight2680.80 g/mol
Exact Mass2682.18
IUPAC Name1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);ethane;bis(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(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)(C=[Mo]=Nc1ccccc1C(F)(F)F)c1ccccc1.CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.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
InChIInChI=1S/C36H50O.2C21H24F2O.C10H15N.2C10H12.C7H4F3N.C6H3Cl2N.3C6H8N.C5H10.2C2H6.2Mo.W/c1-20(2)26-16-30(22(5)6)34(31(17-26)23(7)8)28-14-13-15-29(36(28)37)35-32(24(9)10)18-27(21(3)4)19-33(35)25(11)12;2*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;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;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;2*1-2;;;/h13-25,37H,1-12H3;2*10-12,17,24H,2-9H2,1H3;7-9H,1-6H2;2*1,4-8H,2-3H3;1-4H;1-3H;3*3-4H,1-2H3;1H,2-4H3;2*1-2H3;;;/q;;;;;;;;3*-1;;;;;;
InChIKeyYTNYMYHDGDAFER-UHFFFAOYSA-N
XLogP43.73
TPSA140.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms169
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002680.80
LogP ≤ 543.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);ethane;bis(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 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);ethane;bis(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 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);ethane;bis(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 161362217) is 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);ethane;bis(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 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);ethane;bis(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 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);ethane;bis(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(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)(C=[Mo]=Nc1ccccc1C(F)(F)F)c1ccccc1.CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.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.
What is the InChIKey of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);ethane;bis(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 YTNYMYHDGDAFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50O.2C21H24F2O.C10H15N.2C10H12.C7H4F3N.C6H3Cl2N.3C6H8N.C5H10.2C2H6.2Mo.W/c1-20(2)26-16-30(22(5)6)34(31(17-26)23(7)8)28-14-13-15-29(36(28)37)35-32(24(9)10)18-27(21(3)4)19-33(35)25(11)12;2*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;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;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;2*1-2;;;/h13-25,37H,1-12H3;2*10-12,17,24H,2-9H2,1H3;7-9H,1-6H2;2*1,4-8H,2-3H3;1-4H;1-3H;3*3-4H,1-2H3;1H,2-4H3;2*1-2H3;;;/q;;;;;;;;3*-1;;;;;;.
What are the key properties of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);ethane;bis(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?
1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);ethane;bis(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 2680.80 g/mol, XLogP of 43.73, 17 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);ethane;bis(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 161362217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).