copper(1+);2-methyl-6-[6-[[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl-phenylphosphoryl]methyl]-2-pyridinyl]pyridine;tetrafluoroborate

C30H27BCuF4N4OP — CID 139175396

IUPACcopper(1+);2-methyl-6-[6-[[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl-phenylphosphoryl]methyl]-2-pyridinyl]pyridine;tetrafluoroborate
SMILESCc1cccc(-c2cccc(CP(=O)(Cc3cccc(-c4cccc(C)n4)n3)c3ccccc3)n2)n1.F[B-](F)(F)F.[Cu+]
InChIInChI=1S/C30H27N4OP.BF4.Cu/c1-22-10-6-16-27(31-22)29-18-8-12-24(33-29)20-36(35,26-14-4-3-5-15-26)21-25-13-9-19-30(34-25)28-17-7-11-23(2)32-28;2-1(3,4)5;/h3-19H,20-21H2,1-2H3;;/q;-1;+1
InChIKeyGNKWPZZDLSWQSJ-UHFFFAOYSA-N
MW640.90 g/mol
LogP7.90
Rot. Bonds7

About copper(1+);2-methyl-6-[6-[[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl-phenylphosphoryl]methyl]-2-pyridinyl]pyridine;tetrafluoroborate

copper(1+);2-methyl-6-[6-[[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl-phenylphosphoryl]methyl]-2-pyridinyl]pyridine;tetrafluoroborate (PubChem CID 139175396) has the molecular formula C30H27BCuF4N4OP and a molecular weight of 640.90 g/mol. Its IUPAC name is copper(1+);2-methyl-6-[6-[[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl-phenylphosphoryl]methyl]-2-pyridinyl]pyridine;tetrafluoroborate.

Molecular Properties

Compound Namecopper(1+);2-methyl-6-[6-[[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl-phenylphosphoryl]methyl]-2-pyridinyl]pyridine;tetrafluoroborate
PubChem CID139175396
Molecular FormulaC30H27BCuF4N4OP
Molecular Weight640.90 g/mol
Exact Mass640.12
IUPAC Namecopper(1+);2-methyl-6-[6-[[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl-phenylphosphoryl]methyl]-2-pyridinyl]pyridine;tetrafluoroborate
SMILESCc1cccc(-c2cccc(CP(=O)(Cc3cccc(-c4cccc(C)n4)n3)c3ccccc3)n2)n1.F[B-](F)(F)F.[Cu+]
InChIInChI=1S/C30H27N4OP.BF4.Cu/c1-22-10-6-16-27(31-22)29-18-8-12-24(33-29)20-36(35,26-14-4-3-5-15-26)21-25-13-9-19-30(34-25)28-17-7-11-23(2)32-28;2-1(3,4)5;/h3-19H,20-21H2,1-2H3;;/q;-1;+1
InChIKeyGNKWPZZDLSWQSJ-UHFFFAOYSA-N
XLogP7.90
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.90
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze copper(1+);2-methyl-6-[6-[[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl-phenylphosphoryl]methyl]-2-pyridinyl]pyridine;tetrafluoroborate with MolForge

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Related Compounds

2-methyl-6-[6-[2-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]ethyl]-2-pyridinyl]pyridine
CID 14148604
2-methyl-6-(6-phenyl-2-pyridinyl)pyridine
CID 14698682
2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]-4-phenylbutyl]-2-pyridinyl]pyridine
CID 71277472
2-(2-bromoethyl)-6-(6-methyl-2-pyridinyl)pyridine
CID 130153092
2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]butyl]-2-pyridinyl]pyridine
CID 71277471
2-diphenylphosphoryl-6-(6-diphenylphosphoryl-2-pyridinyl)pyridine
CID 58251118
(E)-N-methoxy-1-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine
CID 89419496
3,6-bis(6-methyl-2-pyridinyl)pyridazine;chlorocopper
CID 69390667
N-diphenylphosphoryl-6-methylpyridin-2-amine
CID 832984
2,10-dimethylazecine
CID 126659012
2-(fluoromethyl)-6-phenylpyridine
CID 58240037
N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 102375752

Frequently Asked Questions

What is the IUPAC name of copper(1+);2-methyl-6-[6-[[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl-phenylphosphoryl]methyl]-2-pyridinyl]pyridine;tetrafluoroborate?
The IUPAC name of copper(1+);2-methyl-6-[6-[[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl-phenylphosphoryl]methyl]-2-pyridinyl]pyridine;tetrafluoroborate (CID 139175396) is copper(1+);2-methyl-6-[6-[[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl-phenylphosphoryl]methyl]-2-pyridinyl]pyridine;tetrafluoroborate.
What is the SMILES notation for copper(1+);2-methyl-6-[6-[[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl-phenylphosphoryl]methyl]-2-pyridinyl]pyridine;tetrafluoroborate?
The canonical SMILES for copper(1+);2-methyl-6-[6-[[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl-phenylphosphoryl]methyl]-2-pyridinyl]pyridine;tetrafluoroborate is Cc1cccc(-c2cccc(CP(=O)(Cc3cccc(-c4cccc(C)n4)n3)c3ccccc3)n2)n1.F[B-](F)(F)F.[Cu+].
What is the InChIKey of copper(1+);2-methyl-6-[6-[[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl-phenylphosphoryl]methyl]-2-pyridinyl]pyridine;tetrafluoroborate?
The InChIKey is GNKWPZZDLSWQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N4OP.BF4.Cu/c1-22-10-6-16-27(31-22)29-18-8-12-24(33-29)20-36(35,26-14-4-3-5-15-26)21-25-13-9-19-30(34-25)28-17-7-11-23(2)32-28;2-1(3,4)5;/h3-19H,20-21H2,1-2H3;;/q;-1;+1.
What are the key properties of copper(1+);2-methyl-6-[6-[[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl-phenylphosphoryl]methyl]-2-pyridinyl]pyridine;tetrafluoroborate?
copper(1+);2-methyl-6-[6-[[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl-phenylphosphoryl]methyl]-2-pyridinyl]pyridine;tetrafluoroborate has a molecular weight of 640.90 g/mol, XLogP of 7.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);2-methyl-6-[6-[[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl-phenylphosphoryl]methyl]-2-pyridinyl]pyridine;tetrafluoroborate is sourced from PubChem (CID 139175396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).