cobalt(3+);N-[4-methyl-2,6-di(propan-2-yl)phenyl]-1-[4-methyl-6-[[4-methyl-2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine;trichloride

C34H45Cl3CoN3 — CID 70012092

IUPACcobalt(3+);N-[4-methyl-2,6-di(propan-2-yl)phenyl]-1-[4-methyl-6-[[4-methyl-2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine;trichloride
SMILESCc1cc(/C=N/c2c(C(C)C)cc(C)cc2C(C)C)nc(/C=N/c2c(C(C)C)cc(C)cc2C(C)C)c1.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C34H45N3.3ClH.Co/c1-20(2)29-14-25(10)15-30(21(3)4)33(29)35-18-27-12-24(9)13-28(37-27)19-36-34-31(22(5)6)16-26(11)17-32(34)23(7)8;;;;/h12-23H,1-11H3;3*1H;/q;;;;+3/p-3/b35-18+,36-19+;;;;
InChIKeyGQLJFUOILVVFRY-HDDGMOAHSA-K
MW661.05 g/mol
LogP1.01
Rot. Bonds8

About cobalt(3+);N-[4-methyl-2,6-di(propan-2-yl)phenyl]-1-[4-methyl-6-[[4-methyl-2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine;trichloride

cobalt(3+);N-[4-methyl-2,6-di(propan-2-yl)phenyl]-1-[4-methyl-6-[[4-methyl-2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine;trichloride (PubChem CID 70012092) has the molecular formula C34H45Cl3CoN3 and a molecular weight of 661.05 g/mol. Its IUPAC name is cobalt(3+);N-[4-methyl-2,6-di(propan-2-yl)phenyl]-1-[4-methyl-6-[[4-methyl-2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine;trichloride.

Molecular Properties

Compound Namecobalt(3+);N-[4-methyl-2,6-di(propan-2-yl)phenyl]-1-[4-methyl-6-[[4-methyl-2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine;trichloride
PubChem CID70012092
Molecular FormulaC34H45Cl3CoN3
Molecular Weight661.05 g/mol
Exact Mass659.20
IUPAC Namecobalt(3+);N-[4-methyl-2,6-di(propan-2-yl)phenyl]-1-[4-methyl-6-[[4-methyl-2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine;trichloride
SMILESCc1cc(/C=N/c2c(C(C)C)cc(C)cc2C(C)C)nc(/C=N/c2c(C(C)C)cc(C)cc2C(C)C)c1.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C34H45N3.3ClH.Co/c1-20(2)29-14-25(10)15-30(21(3)4)33(29)35-18-27-12-24(9)13-28(37-27)19-36-34-31(22(5)6)16-26(11)17-32(34)23(7)8;;;;/h12-23H,1-11H3;3*1H;/q;;;;+3/p-3/b35-18+,36-19+;;;;
InChIKeyGQLJFUOILVVFRY-HDDGMOAHSA-K
XLogP1.01
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500661.05
LogP ≤ 51.01
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-[4-methyl-2,6-di(propan-2-yl)phenyl]-1-[4-methyl-6-[[4-methyl-2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine;trichloride?
The IUPAC name of cobalt(3+);N-[4-methyl-2,6-di(propan-2-yl)phenyl]-1-[4-methyl-6-[[4-methyl-2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine;trichloride (CID 70012092) is cobalt(3+);N-[4-methyl-2,6-di(propan-2-yl)phenyl]-1-[4-methyl-6-[[4-methyl-2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine;trichloride.
What is the SMILES notation for cobalt(3+);N-[4-methyl-2,6-di(propan-2-yl)phenyl]-1-[4-methyl-6-[[4-methyl-2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine;trichloride?
The canonical SMILES for cobalt(3+);N-[4-methyl-2,6-di(propan-2-yl)phenyl]-1-[4-methyl-6-[[4-methyl-2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine;trichloride is Cc1cc(/C=N/c2c(C(C)C)cc(C)cc2C(C)C)nc(/C=N/c2c(C(C)C)cc(C)cc2C(C)C)c1.[Cl-].[Cl-].[Cl-].[Co+3].
What is the InChIKey of cobalt(3+);N-[4-methyl-2,6-di(propan-2-yl)phenyl]-1-[4-methyl-6-[[4-methyl-2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine;trichloride?
The InChIKey is GQLJFUOILVVFRY-HDDGMOAHSA-K. The full InChI is InChI=1S/C34H45N3.3ClH.Co/c1-20(2)29-14-25(10)15-30(21(3)4)33(29)35-18-27-12-24(9)13-28(37-27)19-36-34-31(22(5)6)16-26(11)17-32(34)23(7)8;;;;/h12-23H,1-11H3;3*1H;/q;;;;+3/p-3/b35-18+,36-19+;;;;.
What are the key properties of cobalt(3+);N-[4-methyl-2,6-di(propan-2-yl)phenyl]-1-[4-methyl-6-[[4-methyl-2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine;trichloride?
cobalt(3+);N-[4-methyl-2,6-di(propan-2-yl)phenyl]-1-[4-methyl-6-[[4-methyl-2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine;trichloride has a molecular weight of 661.05 g/mol, XLogP of 1.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);N-[4-methyl-2,6-di(propan-2-yl)phenyl]-1-[4-methyl-6-[[4-methyl-2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]methanimine;trichloride is sourced from PubChem (CID 70012092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).