bis(1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-olate);bis(oxygen(2-));uranium

C42H30N4O4U-6 — CID 139139744

IUPACbis(1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-olate);bis(oxygen(2-));uranium
SMILESCc1ccc2cccc(/N=C/c3c([O-])ccc4ccccc34)c2n1.Cc1ccc2cccc(/N=C/c3c([O-])ccc4ccccc34)c2n1.[O-2].[O-2].[U]
InChIInChI=1S/2C21H16N2O.2O.U/c2*1-14-9-10-16-6-4-8-19(21(16)23-14)22-13-18-17-7-3-2-5-15(17)11-12-20(18)24;;;/h2*2-13,24H,1H3;;;/q;;2*-2;/p-2/b2*22-13+;;;
InChIKeyCVFTURGVSPORIT-UTDFVSNQSA-L
MW892.76 g/mol
LogP8.80
Rot. Bonds4

About bis(1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-olate);bis(oxygen(2-));uranium

bis(1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-olate);bis(oxygen(2-));uranium (PubChem CID 139139744) has the molecular formula C42H30N4O4U-6 and a molecular weight of 892.76 g/mol. Its IUPAC name is bis(1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-olate);bis(oxygen(2-));uranium.

Molecular Properties

Compound Namebis(1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-olate);bis(oxygen(2-));uranium
PubChem CID139139744
Molecular FormulaC42H30N4O4U-6
Molecular Weight892.76 g/mol
Exact Mass892.28
IUPAC Namebis(1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-olate);bis(oxygen(2-));uranium
SMILESCc1ccc2cccc(/N=C/c3c([O-])ccc4ccccc34)c2n1.Cc1ccc2cccc(/N=C/c3c([O-])ccc4ccccc34)c2n1.[O-2].[O-2].[U]
InChIInChI=1S/2C21H16N2O.2O.U/c2*1-14-9-10-16-6-4-8-19(21(16)23-14)22-13-18-17-7-3-2-5-15(17)11-12-20(18)24;;;/h2*2-13,24H,1H3;;;/q;;2*-2;/p-2/b2*22-13+;;;
InChIKeyCVFTURGVSPORIT-UTDFVSNQSA-L
XLogP8.80
TPSA153.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.76
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1S)-3-(1,10-Phenanthrolin-2-yl)-2'-phenyl-[1,1'-binaphthalen]-2-ol
CID 136672961
[4-(4-Fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 58251639
dioxouranium(2+); 3-[(E)-[[(E)-(3-oxido-2-naphthyl)methyleneamino]carbamothioylhydrazono]methyl]naphthalen-2-olate; 1,10-phenanthroline
CID 86573681
2-Methoxy-1-(2-methoxybenzo[a]phenazin-1-yl)benzo[a]phenazine
CID 101880730
1-[(2-Methyl-8-quinolyl)aminomethylene]naphthalen-2(1H)-one
CID 136706051
1-(2-Phenylnaphthalen-1-yl)-3-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-ol
CID 137302472
ZINC;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;quinoline
CID 139038761
1-(2-Hydroxynaphthalen-1-yl)naphthalen-2-ol;1,10-phenanthroline
CID 139056035
Naphthalene-2,3-diolate;palladium(2+);2-quinolin-2-ylquinoline
CID 139059131
{N'-[(2-Oxidonaphthalen-1-yl)methylidene]benzohydrazidato}(1,10-phenanthroline)copper(II) methanol monosolvate
CID 139082795
dizinc;bis(2,6-ditert-butylphenolate);bis(dichloromethane);bis((Z)-4-(2-phenylquinolin-8-yl)iminopent-2-en-2-olate)
CID 139107143
bis(1-[(1S,2R)-1,2-bis[(2-methylquinolin-8-yl)azanidyl]-2-(2-oxidonaphthalen-1-yl)ethyl]naphthalen-2-olate);toluene;bis(uranium(4+))
CID 139139742

Frequently Asked Questions

What is the IUPAC name of bis(1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-olate);bis(oxygen(2-));uranium?
The IUPAC name of bis(1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-olate);bis(oxygen(2-));uranium (CID 139139744) is bis(1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-olate);bis(oxygen(2-));uranium.
What is the SMILES notation for bis(1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-olate);bis(oxygen(2-));uranium?
The canonical SMILES for bis(1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-olate);bis(oxygen(2-));uranium is Cc1ccc2cccc(/N=C/c3c([O-])ccc4ccccc34)c2n1.Cc1ccc2cccc(/N=C/c3c([O-])ccc4ccccc34)c2n1.[O-2].[O-2].[U].
What is the InChIKey of bis(1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-olate);bis(oxygen(2-));uranium?
The InChIKey is CVFTURGVSPORIT-UTDFVSNQSA-L. The full InChI is InChI=1S/2C21H16N2O.2O.U/c2*1-14-9-10-16-6-4-8-19(21(16)23-14)22-13-18-17-7-3-2-5-15(17)11-12-20(18)24;;;/h2*2-13,24H,1H3;;;/q;;2*-2;/p-2/b2*22-13+;;;.
What are the key properties of bis(1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-olate);bis(oxygen(2-));uranium?
bis(1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-olate);bis(oxygen(2-));uranium has a molecular weight of 892.76 g/mol, XLogP of 8.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-olate);bis(oxygen(2-));uranium is sourced from PubChem (CID 139139744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).