dichloromethane;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;bis(1-methylimidazole);bis(oxygen(2-));trifluoromethanesulfonate;uranium

C39H55Cl2F3N6O5SU-6 — CID 139127407

IUPACdichloromethane;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;bis(1-methylimidazole);bis(oxygen(2-));trifluoromethanesulfonate;uranium
SMILESC/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]c1c(C(C)C)cccc1C(C)C.ClCCl.Cn1ccnc1.Cn1ccnc1.O=S(=O)([O-])C(F)(F)F.[O-2].[O-2].[U]
InChIInChI=1S/C29H41N2.2C4H6N2.CH2Cl2.CHF3O3S.2O.U/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8;2*1-6-3-2-5-4-6;2-1-3;2-1(3,4)8(5,6)7;;;/h11-21H,1-10H3;2*2-4H,1H3;1H2;(H,5,6,7);;;/q-1;;;;;2*-2;/p-1/b22-17-,31-23+;;;;;;;
InChIKeySVSLGBFLVMLYRD-AXKFIATASA-M
MW1085.90 g/mol
LogP11.96
Rot. Bonds8

About dichloromethane;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;bis(1-methylimidazole);bis(oxygen(2-));trifluoromethanesulfonate;uranium

dichloromethane;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;bis(1-methylimidazole);bis(oxygen(2-));trifluoromethanesulfonate;uranium (PubChem CID 139127407) has the molecular formula C39H55Cl2F3N6O5SU-6 and a molecular weight of 1085.90 g/mol. Its IUPAC name is dichloromethane;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;bis(1-methylimidazole);bis(oxygen(2-));trifluoromethanesulfonate;uranium.

Molecular Properties

Compound Namedichloromethane;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;bis(1-methylimidazole);bis(oxygen(2-));trifluoromethanesulfonate;uranium
PubChem CID139127407
Molecular FormulaC39H55Cl2F3N6O5SU-6
Molecular Weight1085.90 g/mol
Exact Mass1084.38
IUPAC Namedichloromethane;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;bis(1-methylimidazole);bis(oxygen(2-));trifluoromethanesulfonate;uranium
SMILESC/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]c1c(C(C)C)cccc1C(C)C.ClCCl.Cn1ccnc1.Cn1ccnc1.O=S(=O)([O-])C(F)(F)F.[O-2].[O-2].[U]
InChIInChI=1S/C29H41N2.2C4H6N2.CH2Cl2.CHF3O3S.2O.U/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8;2*1-6-3-2-5-4-6;2-1-3;2-1(3,4)8(5,6)7;;;/h11-21H,1-10H3;2*2-4H,1H3;1H2;(H,5,6,7);;;/q-1;;;;;2*-2;/p-1/b22-17-,31-23+;;;;;;;
InChIKeySVSLGBFLVMLYRD-AXKFIATASA-M
XLogP11.96
TPSA176.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001085.90
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[1,3-Bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]phosphanylidenephosphane;bis(trifluoromethanesulfonate)
CID 139040353
2-Bromo-1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium;dichloromethane;trifluoromethanesulfonate
CID 139099502
[1,3-Bis[2,6-di(propan-2-yl)phenyl]-2-methylimidazol-1-ium-4-yl]-diethyl-(trifluoromethylsulfonyloxy)boranuide
CID 139100639
Bis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]boronic acid);bis(trifluoromethanesulfonate)
CID 139100640
[1,3-Bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-dichlorophosphane;trifluoromethanesulfonate
CID 139109520
[1,3-Bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-dichloro-(trifluoromethylsulfonyloxy)boranuide
CID 139109589
bis((E)-[1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-oxidodiazene);copper(1+);trifluoromethanesulfonate
CID 139122212
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[(E)-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]diazenyl]azanide;trifluoromethanesulfonate
CID 139125673
(Z)-N'-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]selanyl-N-tert-butylethane-1,2-diimine;trifluoromethanesulfonate
CID 139126434
[1,3-Bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-trimethylsilane;trifluoromethanesulfonate
CID 139166262
1,3-Bis[2,6-di(propan-2-yl)phenyl]-2-methyltellanylimidazol-1-ium;trifluoromethanesulfonate
CID 139170075
1,3-Bis[2,6-di(propan-2-yl)phenyl]-2-methylsulfanylimidazol-1-ium;trifluoromethanesulfonate
CID 139170077

Frequently Asked Questions

What is the IUPAC name of dichloromethane;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;bis(1-methylimidazole);bis(oxygen(2-));trifluoromethanesulfonate;uranium?
The IUPAC name of dichloromethane;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;bis(1-methylimidazole);bis(oxygen(2-));trifluoromethanesulfonate;uranium (CID 139127407) is dichloromethane;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;bis(1-methylimidazole);bis(oxygen(2-));trifluoromethanesulfonate;uranium.
What is the SMILES notation for dichloromethane;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;bis(1-methylimidazole);bis(oxygen(2-));trifluoromethanesulfonate;uranium?
The canonical SMILES for dichloromethane;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;bis(1-methylimidazole);bis(oxygen(2-));trifluoromethanesulfonate;uranium is C/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]c1c(C(C)C)cccc1C(C)C.ClCCl.Cn1ccnc1.Cn1ccnc1.O=S(=O)([O-])C(F)(F)F.[O-2].[O-2].[U].
What is the InChIKey of dichloromethane;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;bis(1-methylimidazole);bis(oxygen(2-));trifluoromethanesulfonate;uranium?
The InChIKey is SVSLGBFLVMLYRD-AXKFIATASA-M. The full InChI is InChI=1S/C29H41N2.2C4H6N2.CH2Cl2.CHF3O3S.2O.U/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8;2*1-6-3-2-5-4-6;2-1-3;2-1(3,4)8(5,6)7;;;/h11-21H,1-10H3;2*2-4H,1H3;1H2;(H,5,6,7);;;/q-1;;;;;2*-2;/p-1/b22-17-,31-23+;;;;;;;.
What are the key properties of dichloromethane;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;bis(1-methylimidazole);bis(oxygen(2-));trifluoromethanesulfonate;uranium?
dichloromethane;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;bis(1-methylimidazole);bis(oxygen(2-));trifluoromethanesulfonate;uranium has a molecular weight of 1085.90 g/mol, XLogP of 11.96, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;bis(1-methylimidazole);bis(oxygen(2-));trifluoromethanesulfonate;uranium is sourced from PubChem (CID 139127407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).