(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2-pyridin-2-ylpyridine;bis(pyrrol-1-ide)

C36H37MoN5 — CID 140601469

IUPAC(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2-pyridin-2-ylpyridine;bis(pyrrol-1-ide)
SMILESCc1cccc(C)c1N=[Mo+2]=CC(C)(C)c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C10H12.C8H9N.2C4H4N.Mo/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-10(2,3)9-7-5-4-6-8-9;1-6-4-3-5-7(2)8(6)9;2*1-2-4-5-3-1;/h1-8H;1,4-8H,2-3H3;3-5H,1-2H3;2*1-4H;/q;;;2*-1;+2
InChIKeyDKWVMAOLDRQJJS-UHFFFAOYSA-N
MW635.67 g/mol
LogP8.41
Rot. Bonds4

About (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2-pyridin-2-ylpyridine;bis(pyrrol-1-ide)

(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2-pyridin-2-ylpyridine;bis(pyrrol-1-ide) (PubChem CID 140601469) has the molecular formula C36H37MoN5 and a molecular weight of 635.67 g/mol. Its IUPAC name is (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2-pyridin-2-ylpyridine;bis(pyrrol-1-ide).

Molecular Properties

Compound Name(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2-pyridin-2-ylpyridine;bis(pyrrol-1-ide)
PubChem CID140601469
Molecular FormulaC36H37MoN5
Molecular Weight635.67 g/mol
Exact Mass637.21
IUPAC Name(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2-pyridin-2-ylpyridine;bis(pyrrol-1-ide)
SMILESCc1cccc(C)c1N=[Mo+2]=CC(C)(C)c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C10H12.C8H9N.2C4H4N.Mo/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-10(2,3)9-7-5-4-6-8-9;1-6-4-3-5-7(2)8(6)9;2*1-2-4-5-3-1;/h1-8H;1,4-8H,2-3H3;3-5H,1-2H3;2*1-4H;/q;;;2*-1;+2
InChIKeyDKWVMAOLDRQJJS-UHFFFAOYSA-N
XLogP8.41
TPSA66.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.67
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(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
bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);(2-methyl-2-phenylpropylidene)-(2-methyl-6-propylphenyl)iminomolybdenum;2-pyridin-2-ylpyridine
CID 178129974
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
2-(2-methylphenyl)pyridine
CID 144596153
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2-pyridin-2-ylpyridine;bis(pyrrol-1-ide)?
The IUPAC name of (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2-pyridin-2-ylpyridine;bis(pyrrol-1-ide) (CID 140601469) is (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2-pyridin-2-ylpyridine;bis(pyrrol-1-ide).
What is the SMILES notation for (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2-pyridin-2-ylpyridine;bis(pyrrol-1-ide)?
The canonical SMILES for (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2-pyridin-2-ylpyridine;bis(pyrrol-1-ide) is Cc1cccc(C)c1N=[Mo+2]=CC(C)(C)c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2-pyridin-2-ylpyridine;bis(pyrrol-1-ide)?
The InChIKey is DKWVMAOLDRQJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C10H12.C8H9N.2C4H4N.Mo/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-10(2,3)9-7-5-4-6-8-9;1-6-4-3-5-7(2)8(6)9;2*1-2-4-5-3-1;/h1-8H;1,4-8H,2-3H3;3-5H,1-2H3;2*1-4H;/q;;;2*-1;+2.
What are the key properties of (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2-pyridin-2-ylpyridine;bis(pyrrol-1-ide)?
(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2-pyridin-2-ylpyridine;bis(pyrrol-1-ide) has a molecular weight of 635.67 g/mol, XLogP of 8.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2-pyridin-2-ylpyridine;bis(pyrrol-1-ide) is sourced from PubChem (CID 140601469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).