bis((Z)-3-tert-butylimino-1,3-diphenylprop-1-en-1-olate);bis(dichloromethane);bis(oxygen(2-));uranium

C40H44Cl4N2O4U-6 — CID 139135762

IUPACbis((Z)-3-tert-butylimino-1,3-diphenylprop-1-en-1-olate);bis(dichloromethane);bis(oxygen(2-));uranium
SMILESCC(C)(C)/N=C(/C=C(\[O-])c1ccccc1)c1ccccc1.CC(C)(C)/N=C(/C=C(\[O-])c1ccccc1)c1ccccc1.ClCCl.ClCCl.[O-2].[O-2].[U]
InChIInChI=1S/2C19H21NO.2CH2Cl2.2O.U/c2*1-19(2,3)20-17(15-10-6-4-7-11-15)14-18(21)16-12-8-5-9-13-16;2*2-1-3;;;/h2*4-14,21H,1-3H3;2*1H2;;;/q;;;;2*-2;/p-2/b2*18-14-,20-17-;;;;;
InChIKeyUTQQOIWLJWZRDS-RGEUZUFTSA-L
MW996.64 g/mol
LogP9.96
Rot. Bonds6

About bis((Z)-3-tert-butylimino-1,3-diphenylprop-1-en-1-olate);bis(dichloromethane);bis(oxygen(2-));uranium

bis((Z)-3-tert-butylimino-1,3-diphenylprop-1-en-1-olate);bis(dichloromethane);bis(oxygen(2-));uranium (PubChem CID 139135762) has the molecular formula C40H44Cl4N2O4U-6 and a molecular weight of 996.64 g/mol. Its IUPAC name is bis((Z)-3-tert-butylimino-1,3-diphenylprop-1-en-1-olate);bis(dichloromethane);bis(oxygen(2-));uranium.

Molecular Properties

Compound Namebis((Z)-3-tert-butylimino-1,3-diphenylprop-1-en-1-olate);bis(dichloromethane);bis(oxygen(2-));uranium
PubChem CID139135762
Molecular FormulaC40H44Cl4N2O4U-6
Molecular Weight996.64 g/mol
Exact Mass994.26
IUPAC Namebis((Z)-3-tert-butylimino-1,3-diphenylprop-1-en-1-olate);bis(dichloromethane);bis(oxygen(2-));uranium
SMILESCC(C)(C)/N=C(/C=C(\[O-])c1ccccc1)c1ccccc1.CC(C)(C)/N=C(/C=C(\[O-])c1ccccc1)c1ccccc1.ClCCl.ClCCl.[O-2].[O-2].[U]
InChIInChI=1S/2C19H21NO.2CH2Cl2.2O.U/c2*1-19(2,3)20-17(15-10-6-4-7-11-15)14-18(21)16-12-8-5-9-13-16;2*2-1-3;;;/h2*4-14,21H,1-3H3;2*1H2;;;/q;;;;2*-2;/p-2/b2*18-14-,20-17-;;;;;
InChIKeyUTQQOIWLJWZRDS-RGEUZUFTSA-L
XLogP9.96
TPSA127.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500996.64
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze bis((Z)-3-tert-butylimino-1,3-diphenylprop-1-en-1-olate);bis(dichloromethane);bis(oxygen(2-));uranium with MolForge

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Related Compounds

N-tert-butyl-1,1-diphenylmethan(15N)imine
CID 170780662
gallium tris(3-oxo-1-phenylbut-1-en-1-olate)
CID 73160345
sodium (Z)-3-oxo-1-phenylbut-1-en-1-olate
CID 23681715
N-tert-butyl-1-phenylpropan-1-imine
CID 12694730
copper bis((Z)-3-benzylimino-1-phenylbut-1-en-1-olate)
CID 139203468
N-tert-butyl-2,2-dimethyl-1-phenylpropan-1-imine
CID 15739864
(Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-olate
CID 14818454
bis(octadecanoate);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);titanium
CID 50937250
dichloroniobium;(Z)-3-oxo-1,3-diphenylprop-1-en-1-olate;bis(propan-1-ol)
CID 50937194
bis(2-hydroxy-2-oxo-1,1-diphenylethanolate);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);titanium
CID 50937253
1,2-dimethoxyethane;tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);terbium(3+)
CID 139143577
N-tert-butyl-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethanimine
CID 2852902

Frequently Asked Questions

What is the IUPAC name of bis((Z)-3-tert-butylimino-1,3-diphenylprop-1-en-1-olate);bis(dichloromethane);bis(oxygen(2-));uranium?
The IUPAC name of bis((Z)-3-tert-butylimino-1,3-diphenylprop-1-en-1-olate);bis(dichloromethane);bis(oxygen(2-));uranium (CID 139135762) is bis((Z)-3-tert-butylimino-1,3-diphenylprop-1-en-1-olate);bis(dichloromethane);bis(oxygen(2-));uranium.
What is the SMILES notation for bis((Z)-3-tert-butylimino-1,3-diphenylprop-1-en-1-olate);bis(dichloromethane);bis(oxygen(2-));uranium?
The canonical SMILES for bis((Z)-3-tert-butylimino-1,3-diphenylprop-1-en-1-olate);bis(dichloromethane);bis(oxygen(2-));uranium is CC(C)(C)/N=C(/C=C(\[O-])c1ccccc1)c1ccccc1.CC(C)(C)/N=C(/C=C(\[O-])c1ccccc1)c1ccccc1.ClCCl.ClCCl.[O-2].[O-2].[U].
What is the InChIKey of bis((Z)-3-tert-butylimino-1,3-diphenylprop-1-en-1-olate);bis(dichloromethane);bis(oxygen(2-));uranium?
The InChIKey is UTQQOIWLJWZRDS-RGEUZUFTSA-L. The full InChI is InChI=1S/2C19H21NO.2CH2Cl2.2O.U/c2*1-19(2,3)20-17(15-10-6-4-7-11-15)14-18(21)16-12-8-5-9-13-16;2*2-1-3;;;/h2*4-14,21H,1-3H3;2*1H2;;;/q;;;;2*-2;/p-2/b2*18-14-,20-17-;;;;;.
What are the key properties of bis((Z)-3-tert-butylimino-1,3-diphenylprop-1-en-1-olate);bis(dichloromethane);bis(oxygen(2-));uranium?
bis((Z)-3-tert-butylimino-1,3-diphenylprop-1-en-1-olate);bis(dichloromethane);bis(oxygen(2-));uranium has a molecular weight of 996.64 g/mol, XLogP of 9.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-3-tert-butylimino-1,3-diphenylprop-1-en-1-olate);bis(dichloromethane);bis(oxygen(2-));uranium is sourced from PubChem (CID 139135762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).