carbanide;ethane;naphthalen-1-ol;phenol;bis(1H-pyridin-2-one);bis(yttrium)

C44H66N2O5Y2-2 — CID 159023684

IUPACcarbanide;ethane;naphthalen-1-ol;phenol;bis(1H-pyridin-2-one);bis(yttrium)
SMILESCC.CC.CC.CC.CC.O=c1cccc[nH]1.O=c1cccc[nH]1.Oc1cccc2ccccc12.Oc1ccccc1.Oc1ccccc1.[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/C10H8O.2C6H6O.2C5H5NO.5C2H6.2CH3.2Y/c11-10-7-3-5-8-4-1-2-6-9(8)10;2*7-6-4-2-1-3-5-6;2*7-5-3-1-2-4-6-5;5*1-2;;;;/h1-7,11H;2*1-5,7H;2*1-4H,(H,6,7);5*1-2H3;2*1H3;;/q;;;;;;;;;;2*-1;;
InChIKeyDPPMDYSJFOTXDE-UHFFFAOYSA-N
MW880.83 g/mol
LogP12.11
Rot. Bonds

About carbanide;ethane;naphthalen-1-ol;phenol;bis(1H-pyridin-2-one);bis(yttrium)

carbanide;ethane;naphthalen-1-ol;phenol;bis(1H-pyridin-2-one);bis(yttrium) (PubChem CID 159023684) has the molecular formula C44H66N2O5Y2-2 and a molecular weight of 880.83 g/mol. Its IUPAC name is carbanide;ethane;naphthalen-1-ol;phenol;bis(1H-pyridin-2-one);bis(yttrium).

Molecular Properties

Compound Namecarbanide;ethane;naphthalen-1-ol;phenol;bis(1H-pyridin-2-one);bis(yttrium)
PubChem CID159023684
Molecular FormulaC44H66N2O5Y2-2
Molecular Weight880.83 g/mol
Exact Mass880.31
IUPAC Namecarbanide;ethane;naphthalen-1-ol;phenol;bis(1H-pyridin-2-one);bis(yttrium)
SMILESCC.CC.CC.CC.CC.O=c1cccc[nH]1.O=c1cccc[nH]1.Oc1cccc2ccccc12.Oc1ccccc1.Oc1ccccc1.[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/C10H8O.2C6H6O.2C5H5NO.5C2H6.2CH3.2Y/c11-10-7-3-5-8-4-1-2-6-9(8)10;2*7-6-4-2-1-3-5-6;2*7-5-3-1-2-4-6-5;5*1-2;;;;/h1-7,11H;2*1-5,7H;2*1-4H,(H,6,7);5*1-2H3;2*1H3;;/q;;;;;;;;;;2*-1;;
InChIKeyDPPMDYSJFOTXDE-UHFFFAOYSA-N
XLogP12.11
TPSA126.41 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.83
LogP ≤ 512.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;methane;bis(naphthalen-1-ol);phenol;propane
CID 158772612
ethanol;bis(1H-pyridin-2-one)
CID 174827377
chloromethane;ethane;naphthalen-1-ol
CID 144848699
bis(naphthalen-1-ol);titanium(2+);dichloride
CID 21243627
bis(naphthalen-1-ol);zirconium(2+);dichloride
CID 21243616
(213C)1H-pyridin-2-one
CID 12998482
1H-pyridin-2-one
CID 157260165
(211C)1H-pyridin-2-one
CID 11788262
ethane;pyrazine;1H-pyridin-2-one
CID 145202004
hydron;1H-pyridin-2-one
CID 131852568
tetrakis(naphthalen-1-ol);titanium
CID 18400436
naphthalene;naphthalen-1-ol
CID 174561564

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;naphthalen-1-ol;phenol;bis(1H-pyridin-2-one);bis(yttrium)?
The IUPAC name of carbanide;ethane;naphthalen-1-ol;phenol;bis(1H-pyridin-2-one);bis(yttrium) (CID 159023684) is carbanide;ethane;naphthalen-1-ol;phenol;bis(1H-pyridin-2-one);bis(yttrium).
What is the SMILES notation for carbanide;ethane;naphthalen-1-ol;phenol;bis(1H-pyridin-2-one);bis(yttrium)?
The canonical SMILES for carbanide;ethane;naphthalen-1-ol;phenol;bis(1H-pyridin-2-one);bis(yttrium) is CC.CC.CC.CC.CC.O=c1cccc[nH]1.O=c1cccc[nH]1.Oc1cccc2ccccc12.Oc1ccccc1.Oc1ccccc1.[CH3-].[CH3-].[Y].[Y].
What is the InChIKey of carbanide;ethane;naphthalen-1-ol;phenol;bis(1H-pyridin-2-one);bis(yttrium)?
The InChIKey is DPPMDYSJFOTXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O.2C6H6O.2C5H5NO.5C2H6.2CH3.2Y/c11-10-7-3-5-8-4-1-2-6-9(8)10;2*7-6-4-2-1-3-5-6;2*7-5-3-1-2-4-6-5;5*1-2;;;;/h1-7,11H;2*1-5,7H;2*1-4H,(H,6,7);5*1-2H3;2*1H3;;/q;;;;;;;;;;2*-1;;.
What are the key properties of carbanide;ethane;naphthalen-1-ol;phenol;bis(1H-pyridin-2-one);bis(yttrium)?
carbanide;ethane;naphthalen-1-ol;phenol;bis(1H-pyridin-2-one);bis(yttrium) has a molecular weight of 880.83 g/mol, XLogP of 12.11, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;naphthalen-1-ol;phenol;bis(1H-pyridin-2-one);bis(yttrium) is sourced from PubChem (CID 159023684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).