cobalt(3+);N-(2,4,6-tripropylphenyl)-1-[6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride

C37H51Cl3CoN3 — CID 70012064

IUPACcobalt(3+);N-(2,4,6-tripropylphenyl)-1-[6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride
SMILESCCCc1cc(CCC)c(/N=C/c2cccc(/C=N/c3c(CCC)cc(CCC)cc3CCC)n2)c(CCC)c1.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C37H51N3.3ClH.Co/c1-7-14-28-22-30(16-9-3)36(31(23-28)17-10-4)38-26-34-20-13-21-35(40-34)27-39-37-32(18-11-5)24-29(15-8-2)25-33(37)19-12-6;;;;/h13,20-27H,7-12,14-19H2,1-6H3;3*1H;/q;;;;+3/p-3/b38-26+,39-27+;;;;
InChIKeyKQEZAYSHWLUSDL-VQYZVOJESA-K
MW703.13 g/mol
LogP1.31
Rot. Bonds16

About cobalt(3+);N-(2,4,6-tripropylphenyl)-1-[6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride

cobalt(3+);N-(2,4,6-tripropylphenyl)-1-[6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride (PubChem CID 70012064) has the molecular formula C37H51Cl3CoN3 and a molecular weight of 703.13 g/mol. Its IUPAC name is cobalt(3+);N-(2,4,6-tripropylphenyl)-1-[6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride.

Molecular Properties

Compound Namecobalt(3+);N-(2,4,6-tripropylphenyl)-1-[6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride
PubChem CID70012064
Molecular FormulaC37H51Cl3CoN3
Molecular Weight703.13 g/mol
Exact Mass701.25
IUPAC Namecobalt(3+);N-(2,4,6-tripropylphenyl)-1-[6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride
SMILESCCCc1cc(CCC)c(/N=C/c2cccc(/C=N/c3c(CCC)cc(CCC)cc3CCC)n2)c(CCC)c1.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C37H51N3.3ClH.Co/c1-7-14-28-22-30(16-9-3)36(31(23-28)17-10-4)38-26-34-20-13-21-35(40-34)27-39-37-32(18-11-5)24-29(15-8-2)25-33(37)19-12-6;;;;/h13,20-27H,7-12,14-19H2,1-6H3;3*1H;/q;;;;+3/p-3/b38-26+,39-27+;;;;
InChIKeyKQEZAYSHWLUSDL-VQYZVOJESA-K
XLogP1.31
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500703.13
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cobalt(3+);N-(2,4,6-tripropylphenyl)-1-[6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride?
The IUPAC name of cobalt(3+);N-(2,4,6-tripropylphenyl)-1-[6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride (CID 70012064) is cobalt(3+);N-(2,4,6-tripropylphenyl)-1-[6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride.
What is the SMILES notation for cobalt(3+);N-(2,4,6-tripropylphenyl)-1-[6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride?
The canonical SMILES for cobalt(3+);N-(2,4,6-tripropylphenyl)-1-[6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride is CCCc1cc(CCC)c(/N=C/c2cccc(/C=N/c3c(CCC)cc(CCC)cc3CCC)n2)c(CCC)c1.[Cl-].[Cl-].[Cl-].[Co+3].
What is the InChIKey of cobalt(3+);N-(2,4,6-tripropylphenyl)-1-[6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride?
The InChIKey is KQEZAYSHWLUSDL-VQYZVOJESA-K. The full InChI is InChI=1S/C37H51N3.3ClH.Co/c1-7-14-28-22-30(16-9-3)36(31(23-28)17-10-4)38-26-34-20-13-21-35(40-34)27-39-37-32(18-11-5)24-29(15-8-2)25-33(37)19-12-6;;;;/h13,20-27H,7-12,14-19H2,1-6H3;3*1H;/q;;;;+3/p-3/b38-26+,39-27+;;;;.
What are the key properties of cobalt(3+);N-(2,4,6-tripropylphenyl)-1-[6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride?
cobalt(3+);N-(2,4,6-tripropylphenyl)-1-[6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride has a molecular weight of 703.13 g/mol, XLogP of 1.31, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);N-(2,4,6-tripropylphenyl)-1-[6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride is sourced from PubChem (CID 70012064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).