copper(1+);dichloromethane;bis(2,4-diphenyl-6-pyridin-2-ylpyridine);perchlorate

C45H34Cl3CuN4O4 — CID 139067355

IUPACcopper(1+);dichloromethane;bis(2,4-diphenyl-6-pyridin-2-ylpyridine);perchlorate
SMILESClCCl.[Cu+].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/2C22H16N2.CH2Cl2.ClHO4.Cu/c2*1-3-9-17(10-4-1)19-15-21(18-11-5-2-6-12-18)24-22(16-19)20-13-7-8-14-23-20;2-1-3;2-1(3,4)5;/h2*1-16H;1H2;(H,2,3,4,5);/q;;;;+1/p-1
InChIKeyAQVIZAYHSRHGDE-UHFFFAOYSA-M
MW864.70 g/mol
LogP7.62
Rot. Bonds6

About copper(1+);dichloromethane;bis(2,4-diphenyl-6-pyridin-2-ylpyridine);perchlorate

copper(1+);dichloromethane;bis(2,4-diphenyl-6-pyridin-2-ylpyridine);perchlorate (PubChem CID 139067355) has the molecular formula C45H34Cl3CuN4O4 and a molecular weight of 864.70 g/mol. Its IUPAC name is copper(1+);dichloromethane;bis(2,4-diphenyl-6-pyridin-2-ylpyridine);perchlorate.

Molecular Properties

Compound Namecopper(1+);dichloromethane;bis(2,4-diphenyl-6-pyridin-2-ylpyridine);perchlorate
PubChem CID139067355
Molecular FormulaC45H34Cl3CuN4O4
Molecular Weight864.70 g/mol
Exact Mass862.09
IUPAC Namecopper(1+);dichloromethane;bis(2,4-diphenyl-6-pyridin-2-ylpyridine);perchlorate
SMILESClCCl.[Cu+].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/2C22H16N2.CH2Cl2.ClHO4.Cu/c2*1-3-9-17(10-4-1)19-15-21(18-11-5-2-6-12-18)24-22(16-19)20-13-7-8-14-23-20;2-1-3;2-1(3,4)5;/h2*1-16H;1H2;(H,2,3,4,5);/q;;;;+1/p-1
InChIKeyAQVIZAYHSRHGDE-UHFFFAOYSA-M
XLogP7.62
TPSA143.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.70
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-Pyridin-3-yl-9-[6-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
CID 71539945
1,3-Bis-N-phenylpiperazinomethyl-2-phenylpyrrocoline
CID 42872
1-Pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole
CID 71539896
Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
9-Butyl-3-[[4-[(9-butylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029326
9-[(4-Fluorophenyl)methyl]-3-[[4-[[9-[(4-fluorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029328
9-(3-Phenylpropyl)-3-[[4-[[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029591
(2-(4-methyl-5-phenyl-2-pyridinyl-kappaN)phenyl-kappaC)bis(2-(2-pyridinyl-kappaN)phenyl-kappaC) Iridium
CID 59546880
Chlorobis(2-phenylpyridine)rhodium(III) dimer
CID 71311434
4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
1-[4-[4-[[bis(2-pyridylmethyl)amino]methyl]phenyl]phenyl]-N,N-bis(2-pyridylmethyl)methanamine
CID 16073097
9-Benzyl-3-[[4-[(9-benzylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029327

Frequently Asked Questions

What is the IUPAC name of copper(1+);dichloromethane;bis(2,4-diphenyl-6-pyridin-2-ylpyridine);perchlorate?
The IUPAC name of copper(1+);dichloromethane;bis(2,4-diphenyl-6-pyridin-2-ylpyridine);perchlorate (CID 139067355) is copper(1+);dichloromethane;bis(2,4-diphenyl-6-pyridin-2-ylpyridine);perchlorate.
What is the SMILES notation for copper(1+);dichloromethane;bis(2,4-diphenyl-6-pyridin-2-ylpyridine);perchlorate?
The canonical SMILES for copper(1+);dichloromethane;bis(2,4-diphenyl-6-pyridin-2-ylpyridine);perchlorate is ClCCl.[Cu+].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of copper(1+);dichloromethane;bis(2,4-diphenyl-6-pyridin-2-ylpyridine);perchlorate?
The InChIKey is AQVIZAYHSRHGDE-UHFFFAOYSA-M. The full InChI is InChI=1S/2C22H16N2.CH2Cl2.ClHO4.Cu/c2*1-3-9-17(10-4-1)19-15-21(18-11-5-2-6-12-18)24-22(16-19)20-13-7-8-14-23-20;2-1-3;2-1(3,4)5;/h2*1-16H;1H2;(H,2,3,4,5);/q;;;;+1/p-1.
What are the key properties of copper(1+);dichloromethane;bis(2,4-diphenyl-6-pyridin-2-ylpyridine);perchlorate?
copper(1+);dichloromethane;bis(2,4-diphenyl-6-pyridin-2-ylpyridine);perchlorate has a molecular weight of 864.70 g/mol, XLogP of 7.62, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);dichloromethane;bis(2,4-diphenyl-6-pyridin-2-ylpyridine);perchlorate is sourced from PubChem (CID 139067355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).