cadmium(2+);bis(2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline);diacetate

C38H26CdN8O6 — CID 139071137

IUPACcadmium(2+);bis(2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[Cd+2].c1coc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1coc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
InChIInChI=1S/2C17H10N4O.2C2H4O2.Cd/c2*1-4-10-13(18-7-1)14-11(5-2-8-19-14)16-15(10)20-17(21-16)12-6-3-9-22-12;2*1-2(3)4;/h2*1-9H,(H,20,21);2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyOXXXNHKIJHTZAR-UHFFFAOYSA-L
MW803.09 g/mol
LogP5.35
Rot. Bonds2

About cadmium(2+);bis(2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline);diacetate

cadmium(2+);bis(2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline);diacetate (PubChem CID 139071137) has the molecular formula C38H26CdN8O6 and a molecular weight of 803.09 g/mol. Its IUPAC name is cadmium(2+);bis(2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline);diacetate.

Molecular Properties

Compound Namecadmium(2+);bis(2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline);diacetate
PubChem CID139071137
Molecular FormulaC38H26CdN8O6
Molecular Weight803.09 g/mol
Exact Mass804.10
IUPAC Namecadmium(2+);bis(2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[Cd+2].c1coc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1coc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
InChIInChI=1S/2C17H10N4O.2C2H4O2.Cd/c2*1-4-10-13(18-7-1)14-11(5-2-8-19-14)16-15(10)20-17(21-16)12-6-3-9-22-12;2*1-2(3)4;/h2*1-9H,(H,20,21);2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyOXXXNHKIJHTZAR-UHFFFAOYSA-L
XLogP5.35
TPSA215.46 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500803.09
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 46866334
N-(furan-2-ylmethyl)-2-phenyl-7H-purin-6-amine;3-[(7H-purin-6-ylamino)methyl]benzoic acid;N-(2-pyridin-3-ylethyl)-7H-purin-6-amine;N-[[4-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 162055386
2-[5-(3-fluorophenyl)furan-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline
CID 176234778
2-(2-Furyl)imidazo[4,5-f]quinoline
CID 13384436
Furylimidazoquinoline
CID 129753589
2-(2-Furyl)-1H-imidazo[4,5-f][1,10]phenanthroline-3,7-diium dichloride monohydrate
CID 139075929
3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one;bis(2-pyridin-2-ylpyridine);ruthenium
CID 59456370
[4-(Furan-2-yl)-15-(methoxymethyl)-3,5,10,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaen-14-yl] propan-2-yl carbonate
CID 70109989
Propan-2-yl 4-(furan-2-yl)-15-(methoxymethyl)-3,5,10,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaene-14-carboxylate
CID 70296490
2-(furan-2-yl)-N-(4-methoxyphenyl)-3H-imidazo[4,5-f]quinolin-9-amine;hydrate;hydrochloride
CID 70435470
2-[5-[[[2-[3-[(3H-benzimidazol-5-ylamino)methyl]furan-2-carbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carbonyl]amino]methyl]-3-[(quinoxalin-6-ylamino)methyl]furan-2-carbonyl]-N,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 123238885
N-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine;11-(furan-2-ylmethyl)-1,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;[3-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]pyrazin-2-yl]methanol;[3-[(7H-purin-6-ylamino)methyl]pyrazin-2-yl]methanol
CID 157081772

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline);diacetate?
The IUPAC name of cadmium(2+);bis(2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline);diacetate (CID 139071137) is cadmium(2+);bis(2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline);diacetate.
What is the SMILES notation for cadmium(2+);bis(2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline);diacetate?
The canonical SMILES for cadmium(2+);bis(2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline);diacetate is CC(=O)[O-].CC(=O)[O-].[Cd+2].c1coc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1coc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.
What is the InChIKey of cadmium(2+);bis(2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline);diacetate?
The InChIKey is OXXXNHKIJHTZAR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H10N4O.2C2H4O2.Cd/c2*1-4-10-13(18-7-1)14-11(5-2-8-19-14)16-15(10)20-17(21-16)12-6-3-9-22-12;2*1-2(3)4;/h2*1-9H,(H,20,21);2*1H3,(H,3,4);/q;;;;+2/p-2.
What are the key properties of cadmium(2+);bis(2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline);diacetate?
cadmium(2+);bis(2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline);diacetate has a molecular weight of 803.09 g/mol, XLogP of 5.35, 2 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline);diacetate is sourced from PubChem (CID 139071137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).