benzenesulfinylbenzene;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);bis(oxygen(2-));uranium

C42H32O7SU-6 — CID 139058057

IUPACbenzenesulfinylbenzene;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);bis(oxygen(2-));uranium
SMILESO=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=S(c1ccccc1)c1ccccc1.[O-2].[O-2].[U]
InChIInChI=1S/2C15H12O2.C12H10OS.2O.U/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;;/h2*1-11,16H;1-10H;;;/q;;;2*-2;/p-2/b2*14-11-;;;;
InChIKeyQNWVQTIPQCYWSX-BBUPTDOFSA-L
MW918.81 g/mol
LogP7.16
Rot. Bonds8

About benzenesulfinylbenzene;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);bis(oxygen(2-));uranium

benzenesulfinylbenzene;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);bis(oxygen(2-));uranium (PubChem CID 139058057) has the molecular formula C42H32O7SU-6 and a molecular weight of 918.81 g/mol. Its IUPAC name is benzenesulfinylbenzene;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);bis(oxygen(2-));uranium.

Molecular Properties

Compound Namebenzenesulfinylbenzene;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);bis(oxygen(2-));uranium
PubChem CID139058057
Molecular FormulaC42H32O7SU-6
Molecular Weight918.81 g/mol
Exact Mass918.24
IUPAC Namebenzenesulfinylbenzene;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);bis(oxygen(2-));uranium
SMILESO=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=S(c1ccccc1)c1ccccc1.[O-2].[O-2].[U]
InChIInChI=1S/2C15H12O2.C12H10OS.2O.U/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;;/h2*1-11,16H;1-10H;;;/q;;;2*-2;/p-2/b2*14-11-;;;;
InChIKeyQNWVQTIPQCYWSX-BBUPTDOFSA-L
XLogP7.16
TPSA154.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.81
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzenesulfinylbenzene;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);bis(oxygen(2-));uranium?
The IUPAC name of benzenesulfinylbenzene;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);bis(oxygen(2-));uranium (CID 139058057) is benzenesulfinylbenzene;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);bis(oxygen(2-));uranium.
What is the SMILES notation for benzenesulfinylbenzene;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);bis(oxygen(2-));uranium?
The canonical SMILES for benzenesulfinylbenzene;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);bis(oxygen(2-));uranium is O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=S(c1ccccc1)c1ccccc1.[O-2].[O-2].[U].
What is the InChIKey of benzenesulfinylbenzene;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);bis(oxygen(2-));uranium?
The InChIKey is QNWVQTIPQCYWSX-BBUPTDOFSA-L. The full InChI is InChI=1S/2C15H12O2.C12H10OS.2O.U/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;;/h2*1-11,16H;1-10H;;;/q;;;2*-2;/p-2/b2*14-11-;;;;.
What are the key properties of benzenesulfinylbenzene;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);bis(oxygen(2-));uranium?
benzenesulfinylbenzene;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);bis(oxygen(2-));uranium has a molecular weight of 918.81 g/mol, XLogP of 7.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfinylbenzene;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);bis(oxygen(2-));uranium is sourced from PubChem (CID 139058057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).