tetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride

C36H52Cl4Mo2N4 — CID 139134561

IUPACtetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride
SMILESCC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.[Cl-].[Cl-].[Cl-].[Cl-].[Mo+2].[Mo+2]
InChIInChI=1S/4C9H13N.4ClH.2Mo/c4*1-9(2,3)8-4-6-10-7-5-8;;;;;;/h4*4-7H,1-3H3;4*1H;;/q;;;;;;;;2*+2/p-4
InChIKeySSIBQLCKPSVNIA-UHFFFAOYSA-J
MW874.53 g/mol
LogP-2.47
Rot. Bonds

About tetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride

tetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride (PubChem CID 139134561) has the molecular formula C36H52Cl4Mo2N4 and a molecular weight of 874.53 g/mol. Its IUPAC name is tetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride.

Molecular Properties

Compound Nametetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride
PubChem CID139134561
Molecular FormulaC36H52Cl4Mo2N4
Molecular Weight874.53 g/mol
Exact Mass876.11
IUPAC Nametetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride
SMILESCC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.[Cl-].[Cl-].[Cl-].[Cl-].[Mo+2].[Mo+2]
InChIInChI=1S/4C9H13N.4ClH.2Mo/c4*1-9(2,3)8-4-6-10-7-5-8;;;;;;/h4*4-7H,1-3H3;4*1H;;/q;;;;;;;;2*+2/p-4
InChIKeySSIBQLCKPSVNIA-UHFFFAOYSA-J
XLogP-2.47
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500874.53
LogP ≤ 5-2.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,4'-Bipyridinium, 1,1'-dibenzyl-, dichloride
CID 14195
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
Nemertelline
CID 3042423
4-tert-butyl-1-[(Z)-[(7E)-7-[(4-tert-butylpyridin-1-ium-1-yl)methylidene]-1,6-dihydronaphthalen-2-ylidene]methyl]pyridin-1-ium dibromide
CID 53322024
1,19,37,55-Tetrazoniapentacyclo[67.3.1.115,19.133,37.151,55]hexaheptaconta-1(72),15(76),16,18,33(75),34,36,51(74),52,54,69(73),70-dodecaene tetraiodide
CID 70694113
1-Dodecyl-4-(1-dodecylpyridin-1-ium-4-yl)pyridin-1-ium dichloride
CID 10907883
1-Undecyl-4-(1-undecylpyridin-1-ium-4-yl)pyridin-1-ium dichloride
CID 70696342
Pyridoclax
CID 92042827
1,2-Bis(4'-methyl-2,2'-bipyridin-4-yl)ethane
CID 15771932
2,4,6-Tri(pyridin-4-yl)pyridine
CID 46317148
(4,4'-Di-tert-butyl-2,2'-bipyridine)bis((2-pyridinyl)phenyl)iridium(III) Hexafluorophosphate
CID 60146995
1,1,2,2-Tetrakis(4-(pyridin-4-yl)phenyl)ethene
CID 90642886

Frequently Asked Questions

What is the IUPAC name of tetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride?
The IUPAC name of tetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride (CID 139134561) is tetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride.
What is the SMILES notation for tetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride?
The canonical SMILES for tetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride is CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.[Cl-].[Cl-].[Cl-].[Cl-].[Mo+2].[Mo+2].
What is the InChIKey of tetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride?
The InChIKey is SSIBQLCKPSVNIA-UHFFFAOYSA-J. The full InChI is InChI=1S/4C9H13N.4ClH.2Mo/c4*1-9(2,3)8-4-6-10-7-5-8;;;;;;/h4*4-7H,1-3H3;4*1H;;/q;;;;;;;;2*+2/p-4.
What are the key properties of tetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride?
tetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride has a molecular weight of 874.53 g/mol, XLogP of -2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride is sourced from PubChem (CID 139134561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).