bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(pyrrol-1-ide)

C198H235Cl2F3MoN8O4W3-4 — CID 159304278

IUPACbis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(pyrrol-1-ide)
SMILESCC(C)(C)C=[W]=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.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.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/2C36H50O.2C18H14O.2C12H17N.3C10H12.C7H4F3N.C6H3Cl2N.C6H8N.C5H10.3C4H4N.Mo.3W/c2*1-20(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*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*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;1-5-3-4-6(2)7-5;1-5(2,3)4;3*1-2-4-5-3-1;;;;/h2*13-25,37H,1-12H3;2*1-13,19H;2*5-9H,1-4H3;3*1,4-8H,2-3H3;1-4H;1-3H;3-4H,1-2H3;1H,2-4H3;3*1-4H;;;;/q;;;;;;;;;;;-1;;3*-1;;;;
InChIKeyHXLQSKRSHYDUOL-UHFFFAOYSA-N
MW3566.47 g/mol
LogP58.92
Rot. Bonds34

About bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(pyrrol-1-ide)

bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(pyrrol-1-ide) (PubChem CID 159304278) has the molecular formula C198H235Cl2F3MoN8O4W3-4 and a molecular weight of 3566.47 g/mol. Its IUPAC name is bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(pyrrol-1-ide).

Molecular Properties

Compound Namebis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(pyrrol-1-ide)
PubChem CID159304278
Molecular FormulaC198H235Cl2F3MoN8O4W3-4
Molecular Weight3566.47 g/mol
Exact Mass3565.54
IUPAC Namebis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(pyrrol-1-ide)
SMILESCC(C)(C)C=[W]=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.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.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/2C36H50O.2C18H14O.2C12H17N.3C10H12.C7H4F3N.C6H3Cl2N.C6H8N.C5H10.3C4H4N.Mo.3W/c2*1-20(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*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*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;1-5-3-4-6(2)7-5;1-5(2,3)4;3*1-2-4-5-3-1;;;;/h2*13-25,37H,1-12H3;2*1-13,19H;2*5-9H,1-4H3;3*1,4-8H,2-3H3;1-4H;1-3H;3-4H,1-2H3;1H,2-4H3;3*1-4H;;;;/q;;;;;;;;;;;-1;;3*-1;;;;
InChIKeyHXLQSKRSHYDUOL-UHFFFAOYSA-N
XLogP58.92
TPSA186.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds34
Heavy Atoms219
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003566.47
LogP ≤ 558.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(pyrrol-1-ide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(pyrrol-1-ide)?
The IUPAC name of bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(pyrrol-1-ide) (CID 159304278) is bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(pyrrol-1-ide).
What is the SMILES notation for bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(pyrrol-1-ide)?
The canonical SMILES for bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(pyrrol-1-ide) is CC(C)(C)C=[W]=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.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.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.
What is the InChIKey of bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(pyrrol-1-ide)?
The InChIKey is HXLQSKRSHYDUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H50O.2C18H14O.2C12H17N.3C10H12.C7H4F3N.C6H3Cl2N.C6H8N.C5H10.3C4H4N.Mo.3W/c2*1-20(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*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*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;1-5-3-4-6(2)7-5;1-5(2,3)4;3*1-2-4-5-3-1;;;;/h2*13-25,37H,1-12H3;2*1-13,19H;2*5-9H,1-4H3;3*1,4-8H,2-3H3;1-4H;1-3H;3-4H,1-2H3;1H,2-4H3;3*1-4H;;;;/q;;;;;;;;;;;-1;;3*-1;;;;.
What are the key properties of bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(pyrrol-1-ide)?
bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(pyrrol-1-ide) has a molecular weight of 3566.47 g/mol, XLogP of 58.92, 34 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(pyrrol-1-ide) is sourced from PubChem (CID 159304278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).