(2-tert-butylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-chlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2-chlorophenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum(2+);(2-methyl-2-phenylpropylidene)-[2-(2,4,6-trimethylphenyl)phenyl]iminotungsten;pentakis(2-pyridin-2-ylpyridine);decakis(pyrrol-1-ide)

C179H189Cl2Mo2N25W3-6 — CID 158455925

IUPAC(2-tert-butylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-chlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2-chlorophenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum(2+);(2-methyl-2-phenylpropylidene)-[2-(2,4,6-trimethylphenyl)phenyl]iminotungsten;pentakis(2-pyridin-2-ylpyridine);decakis(pyrrol-1-ide)
SMILESCC(C)(C)C=[W]=Nc1ccccc1Cl.CC(C)(C)c1ccccc1N=[W]=CC(C)(C)c1ccccc1.CC(C)(C=[Mo+2]=Nc1ccccc1Cl)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo+2]=CC(C)(C)C.Cc1cc(C)c(-c2ccccc2N=[W]=CC(C)(C)c2ccccc2)c(C)c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C15H15N.C12H17N.5C10H8N2.C10H13N.3C10H12.2C6H4ClN.2C5H10.10C4H4N.2Mo.3W/c1-10-8-11(2)15(12(3)9-10)13-6-4-5-7-14(13)16;1-8(2)10-6-5-7-11(9(3)4)12(10)13;5*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-10(2,3)8-6-4-5-7-9(8)11;3*1-10(2,3)9-7-5-4-6-8-9;2*7-5-3-1-2-4-6(5)8;2*1-5(2,3)4;10*1-2-4-5-3-1;;;;;/h4-9H,1-3H3;5-9H,1-4H3;5*1-8H;4-7H,1-3H3;3*1,4-8H,2-3H3;2*1-4H;2*1H,2-4H3;10*1-4H;;;;;/q;;;;;;;;;;;;;;;10*-1;2*+2;;;
InChIKeyGISZJZLSGJTOMM-UHFFFAOYSA-N
MW3504.96 g/mol
LogP44.56
Rot. Bonds19

About (2-tert-butylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-chlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2-chlorophenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum(2+);(2-methyl-2-phenylpropylidene)-[2-(2,4,6-trimethylphenyl)phenyl]iminotungsten;pentakis(2-pyridin-2-ylpyridine);decakis(pyrrol-1-ide)

(2-tert-butylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-chlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2-chlorophenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum(2+);(2-methyl-2-phenylpropylidene)-[2-(2,4,6-trimethylphenyl)phenyl]iminotungsten;pentakis(2-pyridin-2-ylpyridine);decakis(pyrrol-1-ide) (PubChem CID 158455925) has the molecular formula C179H189Cl2Mo2N25W3-6 and a molecular weight of 3504.96 g/mol. Its IUPAC name is (2-tert-butylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-chlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2-chlorophenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum(2+);(2-methyl-2-phenylpropylidene)-[2-(2,4,6-trimethylphenyl)phenyl]iminotungsten;pentakis(2-pyridin-2-ylpyridine);decakis(pyrrol-1-ide).

Molecular Properties

Compound Name(2-tert-butylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-chlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2-chlorophenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum(2+);(2-methyl-2-phenylpropylidene)-[2-(2,4,6-trimethylphenyl)phenyl]iminotungsten;pentakis(2-pyridin-2-ylpyridine);decakis(pyrrol-1-ide)
PubChem CID158455925
Molecular FormulaC179H189Cl2Mo2N25W3-6
Molecular Weight3504.96 g/mol
Exact Mass3506.16
IUPAC Name(2-tert-butylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-chlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2-chlorophenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum(2+);(2-methyl-2-phenylpropylidene)-[2-(2,4,6-trimethylphenyl)phenyl]iminotungsten;pentakis(2-pyridin-2-ylpyridine);decakis(pyrrol-1-ide)
SMILESCC(C)(C)C=[W]=Nc1ccccc1Cl.CC(C)(C)c1ccccc1N=[W]=CC(C)(C)c1ccccc1.CC(C)(C=[Mo+2]=Nc1ccccc1Cl)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo+2]=CC(C)(C)C.Cc1cc(C)c(-c2ccccc2N=[W]=CC(C)(C)c2ccccc2)c(C)c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C15H15N.C12H17N.5C10H8N2.C10H13N.3C10H12.2C6H4ClN.2C5H10.10C4H4N.2Mo.3W/c1-10-8-11(2)15(12(3)9-10)13-6-4-5-7-14(13)16;1-8(2)10-6-5-7-11(9(3)4)12(10)13;5*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-10(2,3)8-6-4-5-7-9(8)11;3*1-10(2,3)9-7-5-4-6-8-9;2*7-5-3-1-2-4-6(5)8;2*1-5(2,3)4;10*1-2-4-5-3-1;;;;;/h4-9H,1-3H3;5-9H,1-4H3;5*1-8H;4-7H,1-3H3;3*1,4-8H,2-3H3;2*1-4H;2*1H,2-4H3;10*1-4H;;;;;/q;;;;;;;;;;;;;;;10*-1;2*+2;;;
InChIKeyGISZJZLSGJTOMM-UHFFFAOYSA-N
XLogP44.56
TPSA331.70 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003504.96
LogP ≤ 544.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze (2-tert-butylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-chlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2-chlorophenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum(2+);(2-methyl-2-phenylpropylidene)-[2-(2,4,6-trimethylphenyl)phenyl]iminotungsten;pentakis(2-pyridin-2-ylpyridine);decakis(pyrrol-1-ide) with MolForge

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Related Compounds

(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2-pyridin-2-ylpyridine;bis(pyrrol-1-ide)
CID 140601469
(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten;(3,5-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;tris(2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol);bis(pyrrol-1-ide)
CID 162076601
1-tert-butyl-3-(3-tert-butyl-2-methanidyl-5,6-dimethylphenyl)-2-methanidyl-4,5-dimethylbenzene;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+)
CID 166448972
1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-diphenylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)
CID 159789096
tris(bis(2,4,6-trimethylphenyl)methanol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
CID 161383120
2,5-dimethylpyrrol-1-ide;2,6-diphenylbenzenethiolate;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+)
CID 140656901
[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1-[(3S)-2-methyl-3-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide
CID 58460767
4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol
CID 159246897
4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;bis(2,6-ditert-butylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;bis(pyrrol-1-ide);tris(4-methylphenyl)methanol
CID 157128021
bis(2-tert-butyl-6-phenylphenol);2,6-dibromo-4-fluorophenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tetrakis(2,5-dimethylpyrrol-1-ide);2,6-diphenylbenzenethiolate;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
CID 158750489
2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide
CID 153288388
8-[8-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]naphthalen-1-ol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum(2+);tris(2,5-dimethylpyrrol-1-ide);8-phenylnaphthalen-1-ol;2,3,5,6-tetraphenylbenzenethiolate
CID 158747103

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-chlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2-chlorophenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum(2+);(2-methyl-2-phenylpropylidene)-[2-(2,4,6-trimethylphenyl)phenyl]iminotungsten;pentakis(2-pyridin-2-ylpyridine);decakis(pyrrol-1-ide)?
The IUPAC name of (2-tert-butylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-chlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2-chlorophenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum(2+);(2-methyl-2-phenylpropylidene)-[2-(2,4,6-trimethylphenyl)phenyl]iminotungsten;pentakis(2-pyridin-2-ylpyridine);decakis(pyrrol-1-ide) (CID 158455925) is (2-tert-butylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-chlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2-chlorophenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum(2+);(2-methyl-2-phenylpropylidene)-[2-(2,4,6-trimethylphenyl)phenyl]iminotungsten;pentakis(2-pyridin-2-ylpyridine);decakis(pyrrol-1-ide).
What is the SMILES notation for (2-tert-butylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-chlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2-chlorophenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum(2+);(2-methyl-2-phenylpropylidene)-[2-(2,4,6-trimethylphenyl)phenyl]iminotungsten;pentakis(2-pyridin-2-ylpyridine);decakis(pyrrol-1-ide)?
The canonical SMILES for (2-tert-butylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-chlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2-chlorophenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum(2+);(2-methyl-2-phenylpropylidene)-[2-(2,4,6-trimethylphenyl)phenyl]iminotungsten;pentakis(2-pyridin-2-ylpyridine);decakis(pyrrol-1-ide) is CC(C)(C)C=[W]=Nc1ccccc1Cl.CC(C)(C)c1ccccc1N=[W]=CC(C)(C)c1ccccc1.CC(C)(C=[Mo+2]=Nc1ccccc1Cl)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo+2]=CC(C)(C)C.Cc1cc(C)c(-c2ccccc2N=[W]=CC(C)(C)c2ccccc2)c(C)c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of (2-tert-butylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-chlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2-chlorophenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum(2+);(2-methyl-2-phenylpropylidene)-[2-(2,4,6-trimethylphenyl)phenyl]iminotungsten;pentakis(2-pyridin-2-ylpyridine);decakis(pyrrol-1-ide)?
The InChIKey is GISZJZLSGJTOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N.C12H17N.5C10H8N2.C10H13N.3C10H12.2C6H4ClN.2C5H10.10C4H4N.2Mo.3W/c1-10-8-11(2)15(12(3)9-10)13-6-4-5-7-14(13)16;1-8(2)10-6-5-7-11(9(3)4)12(10)13;5*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-10(2,3)8-6-4-5-7-9(8)11;3*1-10(2,3)9-7-5-4-6-8-9;2*7-5-3-1-2-4-6(5)8;2*1-5(2,3)4;10*1-2-4-5-3-1;;;;;/h4-9H,1-3H3;5-9H,1-4H3;5*1-8H;4-7H,1-3H3;3*1,4-8H,2-3H3;2*1-4H;2*1H,2-4H3;10*1-4H;;;;;/q;;;;;;;;;;;;;;;10*-1;2*+2;;;.
What are the key properties of (2-tert-butylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-chlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2-chlorophenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum(2+);(2-methyl-2-phenylpropylidene)-[2-(2,4,6-trimethylphenyl)phenyl]iminotungsten;pentakis(2-pyridin-2-ylpyridine);decakis(pyrrol-1-ide)?
(2-tert-butylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-chlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2-chlorophenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum(2+);(2-methyl-2-phenylpropylidene)-[2-(2,4,6-trimethylphenyl)phenyl]iminotungsten;pentakis(2-pyridin-2-ylpyridine);decakis(pyrrol-1-ide) has a molecular weight of 3504.96 g/mol, XLogP of 44.56, 19 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;(2-chlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2-chlorophenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum(2+);(2-methyl-2-phenylpropylidene)-[2-(2,4,6-trimethylphenyl)phenyl]iminotungsten;pentakis(2-pyridin-2-ylpyridine);decakis(pyrrol-1-ide) is sourced from PubChem (CID 158455925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).