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

C175H211Cl4F9Mo3N8O4W-4 — CID 161423436

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)molybdenum;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);tris(3-fluoro-1-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);pyrrol-1-ide
SMILESCC(C)(C)C=[Mo]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[Mo]=Nc1ccccc1C(F)(F)F.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)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(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.Cc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.Cc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.c1cc[n-]c1
InChIInChI=1S/C36H50O.3C21H22F2O.C10H15N.C10H12.C7H4F3N.2C6H3Cl2N.3C6H8N.3C5H10.C4H4N.3Mo.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;3*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;1-10(2,3)9-7-5-4-6-8-9;8-7(9,10)5-3-1-2-4-6(5)11;2*7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;3*1-5(2,3)4;1-2-4-5-3-1;;;;/h13-25,37H,1-12H3;3*10-11,24H,2-9H2,1H3;7-9H,1-6H2;1,4-8H,2-3H3;1-4H;2*1-3H;3*3-4H,1-2H3;3*1H,2-4H3;1-4H;;;;/q;;;;;;;;;3*-1;;;;-1;;;;
InChIKeyCYEUOWYDSMXDSM-UHFFFAOYSA-N
MW3275.12 g/mol
LogP51.03
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)molybdenum;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);tris(3-fluoro-1-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);pyrrol-1-ide

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)molybdenum;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);tris(3-fluoro-1-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);pyrrol-1-ide (PubChem CID 161423436) has the molecular formula C175H211Cl4F9Mo3N8O4W-4 and a molecular weight of 3275.12 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)molybdenum;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);tris(3-fluoro-1-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);pyrrol-1-ide.

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)molybdenum;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);tris(3-fluoro-1-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);pyrrol-1-ide
PubChem CID161423436
Molecular FormulaC175H211Cl4F9Mo3N8O4W-4
Molecular Weight3275.12 g/mol
Exact Mass3277.19
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)molybdenum;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);tris(3-fluoro-1-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);pyrrol-1-ide
SMILESCC(C)(C)C=[Mo]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[Mo]=Nc1ccccc1C(F)(F)F.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)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(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.Cc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.Cc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.c1cc[n-]c1
InChIInChI=1S/C36H50O.3C21H22F2O.C10H15N.C10H12.C7H4F3N.2C6H3Cl2N.3C6H8N.3C5H10.C4H4N.3Mo.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;3*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;1-10(2,3)9-7-5-4-6-8-9;8-7(9,10)5-3-1-2-4-6(5)11;2*7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;3*1-5(2,3)4;1-2-4-5-3-1;;;;/h13-25,37H,1-12H3;3*10-11,24H,2-9H2,1H3;7-9H,1-6H2;1,4-8H,2-3H3;1-4H;2*1-3H;3*3-4H,1-2H3;3*1H,2-4H3;1-4H;;;;/q;;;;;;;;;3*-1;;;;-1;;;;
InChIKeyCYEUOWYDSMXDSM-UHFFFAOYSA-N
XLogP51.03
TPSA186.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms204
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003275.12
LogP ≤ 551.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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)molybdenum;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);tris(3-fluoro-1-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);pyrrol-1-ide 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)molybdenum;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);tris(3-fluoro-1-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);pyrrol-1-ide?
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)molybdenum;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);tris(3-fluoro-1-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);pyrrol-1-ide (CID 161423436) 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)molybdenum;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);tris(3-fluoro-1-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);pyrrol-1-ide.
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)molybdenum;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);tris(3-fluoro-1-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);pyrrol-1-ide?
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)molybdenum;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);tris(3-fluoro-1-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);pyrrol-1-ide is CC(C)(C)C=[Mo]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[Mo]=Nc1ccccc1C(F)(F)F.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)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(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.Cc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.Cc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.c1cc[n-]c1.
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)molybdenum;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);tris(3-fluoro-1-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);pyrrol-1-ide?
The InChIKey is CYEUOWYDSMXDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50O.3C21H22F2O.C10H15N.C10H12.C7H4F3N.2C6H3Cl2N.3C6H8N.3C5H10.C4H4N.3Mo.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;3*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;1-10(2,3)9-7-5-4-6-8-9;8-7(9,10)5-3-1-2-4-6(5)11;2*7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;3*1-5(2,3)4;1-2-4-5-3-1;;;;/h13-25,37H,1-12H3;3*10-11,24H,2-9H2,1H3;7-9H,1-6H2;1,4-8H,2-3H3;1-4H;2*1-3H;3*3-4H,1-2H3;3*1H,2-4H3;1-4H;;;;/q;;;;;;;;;3*-1;;;;-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)molybdenum;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);tris(3-fluoro-1-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);pyrrol-1-ide?
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)molybdenum;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);tris(3-fluoro-1-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);pyrrol-1-ide has a molecular weight of 3275.12 g/mol, XLogP of 51.03, 17 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;2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);tris(3-fluoro-1-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);pyrrol-1-ide is sourced from PubChem (CID 161423436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).