tris(4-propan-2-ylpyridine);trichlorochromium

C24H33Cl3CrN3 — CID 19688799

IUPACtris(4-propan-2-ylpyridine);trichlorochromium
SMILESCC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccncc1.Cl[Cr](Cl)Cl
InChIInChI=1S/3C8H11N.3ClH.Cr/c3*1-7(2)8-3-5-9-6-4-8;;;;/h3*3-7H,1-2H3;3*1H;/q;;;;;;+3/p-3
InChIKeyVOPXEPNRRYRDJY-UHFFFAOYSA-K
MW521.90 g/mol
LogP8.68
Rot. Bonds3

About tris(4-propan-2-ylpyridine);trichlorochromium

tris(4-propan-2-ylpyridine);trichlorochromium (PubChem CID 19688799) has the molecular formula C24H33Cl3CrN3 and a molecular weight of 521.90 g/mol. Its IUPAC name is tris(4-propan-2-ylpyridine);trichlorochromium.

Molecular Properties

Compound Nametris(4-propan-2-ylpyridine);trichlorochromium
PubChem CID19688799
Molecular FormulaC24H33Cl3CrN3
Molecular Weight521.90 g/mol
Exact Mass520.11
IUPAC Nametris(4-propan-2-ylpyridine);trichlorochromium
SMILESCC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccncc1.Cl[Cr](Cl)Cl
InChIInChI=1S/3C8H11N.3ClH.Cr/c3*1-7(2)8-3-5-9-6-4-8;;;;/h3*3-7H,1-2H3;3*1H;/q;;;;;;+3/p-3
InChIKeyVOPXEPNRRYRDJY-UHFFFAOYSA-K
XLogP8.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.90
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241
(1R)-1-pyridin-4-ylethanethiol
CID 92977193
2-deuterio-4-propan-2-ylpyridine
CID 175918465
methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 177028413
dimethyl(phenyl)borane;4-propan-2-ylpyridine
CID 68614411
2-methyl-1,3-dioxolane;4-propan-2-ylpyridine
CID 167569960
ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 159031608
1-methyl-4-propan-2-ylpyrazole;4-propan-2-ylpyridine
CID 163486860
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
cumene;ethane;bis(2-methylpropane);pyrazine;pyridine
CID 160911443
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
4-(3,3-dimethylpentan-2-yl)pyridine
CID 144548059

Frequently Asked Questions

What is the IUPAC name of tris(4-propan-2-ylpyridine);trichlorochromium?
The IUPAC name of tris(4-propan-2-ylpyridine);trichlorochromium (CID 19688799) is tris(4-propan-2-ylpyridine);trichlorochromium.
What is the SMILES notation for tris(4-propan-2-ylpyridine);trichlorochromium?
The canonical SMILES for tris(4-propan-2-ylpyridine);trichlorochromium is CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccncc1.Cl[Cr](Cl)Cl.
What is the InChIKey of tris(4-propan-2-ylpyridine);trichlorochromium?
The InChIKey is VOPXEPNRRYRDJY-UHFFFAOYSA-K. The full InChI is InChI=1S/3C8H11N.3ClH.Cr/c3*1-7(2)8-3-5-9-6-4-8;;;;/h3*3-7H,1-2H3;3*1H;/q;;;;;;+3/p-3.
What are the key properties of tris(4-propan-2-ylpyridine);trichlorochromium?
tris(4-propan-2-ylpyridine);trichlorochromium has a molecular weight of 521.90 g/mol, XLogP of 8.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-propan-2-ylpyridine);trichlorochromium is sourced from PubChem (CID 19688799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).