2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(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);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum

C187H219Cl2F9Mo3N8O4W-4 — CID 160964846

IUPAC2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(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);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum
SMILESCC(C)(C)C=[Mo]=Nc1c(Cl)cccc1Cl.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(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.Cc1cc(C)cc(N=[W]=CC(C)(C)c2ccccc2)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1
InChIInChI=1S/C36H50O.3C21H22F2O.3C10H12.2C8H9N.C7H4F3N.C6H3Cl2N.4C6H8N.C5H10.3Mo.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;3*1-10(2,3)9-7-5-4-6-8-9;1-6-3-7(2)5-8(9)4-6;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;4*1-5-3-4-6(2)7-5;1-5(2,3)4;;;;/h13-25,37H,1-12H3;3*10-11,24H,2-9H2,1H3;3*1,4-8H,2-3H3;2*3-5H,1-2H3;1-4H;1-3H;4*3-4H,1-2H3;1H,2-4H3;;;;/q;;;;;;;;;;;4*-1;;;;;
InChIKeyCLGPWDSVDOLPMT-UHFFFAOYSA-N
MW3356.41 g/mol
LogP52.80
Rot. Bonds21

About 2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(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);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum

2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(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);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum (PubChem CID 160964846) has the molecular formula C187H219Cl2F9Mo3N8O4W-4 and a molecular weight of 3356.41 g/mol. Its IUPAC name is 2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(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);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum.

Molecular Properties

Compound Name2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(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);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum
PubChem CID160964846
Molecular FormulaC187H219Cl2F9Mo3N8O4W-4
Molecular Weight3356.41 g/mol
Exact Mass3359.31
IUPAC Name2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(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);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum
SMILESCC(C)(C)C=[Mo]=Nc1c(Cl)cccc1Cl.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(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.Cc1cc(C)cc(N=[W]=CC(C)(C)c2ccccc2)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1
InChIInChI=1S/C36H50O.3C21H22F2O.3C10H12.2C8H9N.C7H4F3N.C6H3Cl2N.4C6H8N.C5H10.3Mo.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;3*1-10(2,3)9-7-5-4-6-8-9;1-6-3-7(2)5-8(9)4-6;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;4*1-5-3-4-6(2)7-5;1-5(2,3)4;;;;/h13-25,37H,1-12H3;3*10-11,24H,2-9H2,1H3;3*1,4-8H,2-3H3;2*3-5H,1-2H3;1-4H;1-3H;4*3-4H,1-2H3;1H,2-4H3;;;;/q;;;;;;;;;;;4*-1;;;;;
InChIKeyCLGPWDSVDOLPMT-UHFFFAOYSA-N
XLogP52.80
TPSA186.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms214
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003356.41
LogP ≤ 552.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(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);(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-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(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);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum?
The IUPAC name of 2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(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);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum (CID 160964846) is 2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(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);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum.
What is the SMILES notation for 2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(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);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum?
The canonical SMILES for 2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(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);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum is CC(C)(C)C=[Mo]=Nc1c(Cl)cccc1Cl.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(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.Cc1cc(C)cc(N=[W]=CC(C)(C)c2ccccc2)c1.Cc1ccc(C)[n-]1.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-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(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);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum?
The InChIKey is CLGPWDSVDOLPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50O.3C21H22F2O.3C10H12.2C8H9N.C7H4F3N.C6H3Cl2N.4C6H8N.C5H10.3Mo.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;3*1-10(2,3)9-7-5-4-6-8-9;1-6-3-7(2)5-8(9)4-6;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;4*1-5-3-4-6(2)7-5;1-5(2,3)4;;;;/h13-25,37H,1-12H3;3*10-11,24H,2-9H2,1H3;3*1,4-8H,2-3H3;2*3-5H,1-2H3;1-4H;1-3H;4*3-4H,1-2H3;1H,2-4H3;;;;/q;;;;;;;;;;;4*-1;;;;;.
What are the key properties of 2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(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);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum?
2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(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);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum has a molecular weight of 3356.41 g/mol, XLogP of 52.80, 21 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(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);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum is sourced from PubChem (CID 160964846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).