copper;copper(1+);bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);nitrite

C58H70Cu2F12N5O2 — CID 139187258

IUPACcopper;copper(1+);bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);nitrite
SMILESCC(C)c1cccc(C(C)C)c1/N=C(/C=C(\[N-]c1c(C(C)C)cccc1C(C)C)C(F)(F)F)C(F)(F)F.CC(C)c1cccc(C(C)C)c1/N=C(/C=C(\[N-]c1c(C(C)C)cccc1C(C)C)C(F)(F)F)C(F)(F)F.O=N[O-].[Cu+2].[Cu+]
InChIInChI=1S/2C29H35F6N2.2Cu.HNO2/c2*1-16(2)20-11-9-12-21(17(3)4)26(20)36-24(28(30,31)32)15-25(29(33,34)35)37-27-22(18(5)6)13-10-14-23(27)19(7)8;;;2-1-3/h2*9-19H,1-8H3;;;(H,2,3)/q2*-1;+1;+2;/p-1/b2*24-15-,37-25-;;;
InChIKeySHZHGYHEEJKHFI-BNWRQYSESA-M
MW1224.30 g/mol
LogP22.18
Rot. Bonds16

About copper;copper(1+);bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);nitrite

copper;copper(1+);bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);nitrite (PubChem CID 139187258) has the molecular formula C58H70Cu2F12N5O2 and a molecular weight of 1224.30 g/mol. Its IUPAC name is copper;copper(1+);bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);nitrite.

Molecular Properties

Compound Namecopper;copper(1+);bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);nitrite
PubChem CID139187258
Molecular FormulaC58H70Cu2F12N5O2
Molecular Weight1224.30 g/mol
Exact Mass1222.39
IUPAC Namecopper;copper(1+);bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);nitrite
SMILESCC(C)c1cccc(C(C)C)c1/N=C(/C=C(\[N-]c1c(C(C)C)cccc1C(C)C)C(F)(F)F)C(F)(F)F.CC(C)c1cccc(C(C)C)c1/N=C(/C=C(\[N-]c1c(C(C)C)cccc1C(C)C)C(F)(F)F)C(F)(F)F.O=N[O-].[Cu+2].[Cu+]
InChIInChI=1S/2C29H35F6N2.2Cu.HNO2/c2*1-16(2)20-11-9-12-21(17(3)4)26(20)36-24(28(30,31)32)15-25(29(33,34)35)37-27-22(18(5)6)13-10-14-23(27)19(7)8;;;2-1-3/h2*9-19H,1-8H3;;;(H,2,3)/q2*-1;+1;+2;/p-1/b2*24-15-,37-25-;;;
InChIKeySHZHGYHEEJKHFI-BNWRQYSESA-M
XLogP22.18
TPSA105.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001224.30
LogP ≤ 522.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzene;copper(1+);[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]azanide
CID 162414801
[2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide
CID 177489301
acetonitrile;copper(1+);[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide
CID 139152919
dicopper;bis((2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);dihydroxide
CID 139126708
[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]azanide;iron(2+)
CID 139130265
bromonickel;bis((2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide)
CID 139240430
acetonitrile;copper(1+);(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide
CID 139126707
N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 12074470
bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate
CID 139128645
copper;4-tert-butylphenolate;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide
CID 139133972
[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]iminobut-1-en-2-yl]azanide
CID 23523221
[2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-di(propan-2-yl)carbamimidoyl]azanide
CID 102382050

Frequently Asked Questions

What is the IUPAC name of copper;copper(1+);bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);nitrite?
The IUPAC name of copper;copper(1+);bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);nitrite (CID 139187258) is copper;copper(1+);bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);nitrite.
What is the SMILES notation for copper;copper(1+);bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);nitrite?
The canonical SMILES for copper;copper(1+);bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);nitrite is CC(C)c1cccc(C(C)C)c1/N=C(/C=C(\[N-]c1c(C(C)C)cccc1C(C)C)C(F)(F)F)C(F)(F)F.CC(C)c1cccc(C(C)C)c1/N=C(/C=C(\[N-]c1c(C(C)C)cccc1C(C)C)C(F)(F)F)C(F)(F)F.O=N[O-].[Cu+2].[Cu+].
What is the InChIKey of copper;copper(1+);bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);nitrite?
The InChIKey is SHZHGYHEEJKHFI-BNWRQYSESA-M. The full InChI is InChI=1S/2C29H35F6N2.2Cu.HNO2/c2*1-16(2)20-11-9-12-21(17(3)4)26(20)36-24(28(30,31)32)15-25(29(33,34)35)37-27-22(18(5)6)13-10-14-23(27)19(7)8;;;2-1-3/h2*9-19H,1-8H3;;;(H,2,3)/q2*-1;+1;+2;/p-1/b2*24-15-,37-25-;;;.
What are the key properties of copper;copper(1+);bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);nitrite?
copper;copper(1+);bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);nitrite has a molecular weight of 1224.30 g/mol, XLogP of 22.18, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;copper(1+);bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);nitrite is sourced from PubChem (CID 139187258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).