copper(1+);bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);trifluoromethanesulfonate

C37H44CuF3N4O3S — CID 139052507

IUPACcopper(1+);bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);trifluoromethanesulfonate
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.O=S(=O)([O-])C(F)(F)F.[Cu+]
InChIInChI=1S/2C18H22N2.CHF3O3S.Cu/c2*1-13(2)16-9-7-10-17(14(3)4)18(16)20-12-15-8-5-6-11-19-15;2-1(3,4)8(5,6)7;/h2*5-14H,1-4H3;(H,5,6,7);/q;;;+1/p-1/b2*20-12+;;
InChIKeySUVHKDMPGJFQKB-QQKURCPPSA-M
MW745.39 g/mol
LogP10.21
Rot. Bonds8

About copper(1+);bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);trifluoromethanesulfonate

copper(1+);bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);trifluoromethanesulfonate (PubChem CID 139052507) has the molecular formula C37H44CuF3N4O3S and a molecular weight of 745.39 g/mol. Its IUPAC name is copper(1+);bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);trifluoromethanesulfonate.

Molecular Properties

Compound Namecopper(1+);bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);trifluoromethanesulfonate
PubChem CID139052507
Molecular FormulaC37H44CuF3N4O3S
Molecular Weight745.39 g/mol
Exact Mass744.24
IUPAC Namecopper(1+);bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);trifluoromethanesulfonate
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.O=S(=O)([O-])C(F)(F)F.[Cu+]
InChIInChI=1S/2C18H22N2.CHF3O3S.Cu/c2*1-13(2)16-9-7-10-17(14(3)4)18(16)20-12-15-8-5-6-11-19-15;2-1(3,4)8(5,6)7;/h2*5-14H,1-4H3;(H,5,6,7);/q;;;+1/p-1/b2*20-12+;;
InChIKeySUVHKDMPGJFQKB-QQKURCPPSA-M
XLogP10.21
TPSA107.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.39
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze copper(1+);bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);trifluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 66829417
methanesulfonate;1-methyl-3-[(Z)-(1-methylindol-1-ium-3-ylidene)-[4-(trifluoromethyl)phenyl]methyl]indole
CID 164628669
11-(4-Methylphenyl)-6,7-dihydrobenzo[a]quinolizin-5-ium;trifluoromethanesulfonate
CID 50992466
1-Methylsulfonyl-3-[3-(trifluoromethyl)phenyl]indole
CID 134946376
4-[1-[2-[4-[4-(dimethylamino)phenyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]-N,N-dimethylaniline;bis(trifluoromethanesulfonate)
CID 139039420
1,1,1-trifluoro-N-[oxo-(trifluoromethyl)-[[(9R)-7,8,9-triphenyl-1-azonia-9-boranuidabicyclo[4.3.0]nona-1,3,5,7-tetraen-9-yl]oxy]-lambda6-sulfanylidene]methanesulfonamide;1,1,1-trifluoro-N-[oxo-(trifluoromethyl)-[[(9S)-7,8,9-triphenyl-1-azonia-9-boranuidabicyclo[4.3.0]nona-1,3,5,7-tetraen-9-yl]oxy]-lambda6-sulfanylidene]methanesulfonamide
CID 139113626
chromium;bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);oxolane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139116951
bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);manganese;oxolane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139116952
bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);iron;oxolane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139116953
cobalt;bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);oxolane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139116954
bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);nickel;oxolane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139116955
bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);oxolane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;zinc
CID 139116956

Frequently Asked Questions

What is the IUPAC name of copper(1+);bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);trifluoromethanesulfonate?
The IUPAC name of copper(1+);bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);trifluoromethanesulfonate (CID 139052507) is copper(1+);bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);trifluoromethanesulfonate.
What is the SMILES notation for copper(1+);bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);trifluoromethanesulfonate?
The canonical SMILES for copper(1+);bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);trifluoromethanesulfonate is CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.O=S(=O)([O-])C(F)(F)F.[Cu+].
What is the InChIKey of copper(1+);bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);trifluoromethanesulfonate?
The InChIKey is SUVHKDMPGJFQKB-QQKURCPPSA-M. The full InChI is InChI=1S/2C18H22N2.CHF3O3S.Cu/c2*1-13(2)16-9-7-10-17(14(3)4)18(16)20-12-15-8-5-6-11-19-15;2-1(3,4)8(5,6)7;/h2*5-14H,1-4H3;(H,5,6,7);/q;;;+1/p-1/b2*20-12+;;.
What are the key properties of copper(1+);bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);trifluoromethanesulfonate?
copper(1+);bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);trifluoromethanesulfonate has a molecular weight of 745.39 g/mol, XLogP of 10.21, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);trifluoromethanesulfonate is sourced from PubChem (CID 139052507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).