carbanide;1-[5-[(dimethylamino)methyl]acridin-4-yl]-N,N-dimethylmethanamine;2-[8-[(dimethylamino)methyl]quinolin-2-yl]-N,N-dimethylethanamine;ethane;methanone;bis(ruthenium(5+))

C45H68N6O4Ru2+4 — CID 159865588

IUPACcarbanide;1-[5-[(dimethylamino)methyl]acridin-4-yl]-N,N-dimethylmethanamine;2-[8-[(dimethylamino)methyl]quinolin-2-yl]-N,N-dimethylethanamine;ethane;methanone;bis(ruthenium(5+))
SMILESCC.CC.CN(C)CCc1ccc2cccc(CN(C)C)c2n1.CN(C)Cc1cccc2cc3cccc(CN(C)C)c3nc12.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[CH3-].[Ru+5].[Ru+5]
InChIInChI=1S/C19H23N3.C16H23N3.2C2H6.4CHO.2CH3.2Ru/c1-21(2)12-16-9-5-7-14-11-15-8-6-10-17(13-22(3)4)19(15)20-18(14)16;1-18(2)11-10-15-9-8-13-6-5-7-14(12-19(3)4)16(13)17-15;6*1-2;;;;/h5-11H,12-13H2,1-4H3;5-9H,10-12H2,1-4H3;2*1-2H3;4*1H;2*1H3;;/q;;;;6*-1;2*+5
InChIKeyWMWSLTATYDBORC-UHFFFAOYSA-N
MW959.22 g/mol
LogP7.76
Rot. Bonds9

About carbanide;1-[5-[(dimethylamino)methyl]acridin-4-yl]-N,N-dimethylmethanamine;2-[8-[(dimethylamino)methyl]quinolin-2-yl]-N,N-dimethylethanamine;ethane;methanone;bis(ruthenium(5+))

carbanide;1-[5-[(dimethylamino)methyl]acridin-4-yl]-N,N-dimethylmethanamine;2-[8-[(dimethylamino)methyl]quinolin-2-yl]-N,N-dimethylethanamine;ethane;methanone;bis(ruthenium(5+)) (PubChem CID 159865588) has the molecular formula C45H68N6O4Ru2+4 and a molecular weight of 959.22 g/mol. Its IUPAC name is carbanide;1-[5-[(dimethylamino)methyl]acridin-4-yl]-N,N-dimethylmethanamine;2-[8-[(dimethylamino)methyl]quinolin-2-yl]-N,N-dimethylethanamine;ethane;methanone;bis(ruthenium(5+)).

Molecular Properties

Compound Namecarbanide;1-[5-[(dimethylamino)methyl]acridin-4-yl]-N,N-dimethylmethanamine;2-[8-[(dimethylamino)methyl]quinolin-2-yl]-N,N-dimethylethanamine;ethane;methanone;bis(ruthenium(5+))
PubChem CID159865588
Molecular FormulaC45H68N6O4Ru2+4
Molecular Weight959.22 g/mol
Exact Mass960.34
IUPAC Namecarbanide;1-[5-[(dimethylamino)methyl]acridin-4-yl]-N,N-dimethylmethanamine;2-[8-[(dimethylamino)methyl]quinolin-2-yl]-N,N-dimethylethanamine;ethane;methanone;bis(ruthenium(5+))
SMILESCC.CC.CN(C)CCc1ccc2cccc(CN(C)C)c2n1.CN(C)Cc1cccc2cc3cccc(CN(C)C)c3nc12.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[CH3-].[Ru+5].[Ru+5]
InChIInChI=1S/C19H23N3.C16H23N3.2C2H6.4CHO.2CH3.2Ru/c1-21(2)12-16-9-5-7-14-11-15-8-6-10-17(13-22(3)4)19(15)20-18(14)16;1-18(2)11-10-15-9-8-13-6-5-7-14(12-19(3)4)16(13)17-15;6*1-2;;;;/h5-11H,12-13H2,1-4H3;5-9H,10-12H2,1-4H3;2*1-2H3;4*1H;2*1H3;;/q;;;;6*-1;2*+5
InChIKeyWMWSLTATYDBORC-UHFFFAOYSA-N
XLogP7.76
TPSA107.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.22
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze carbanide;1-[5-[(dimethylamino)methyl]acridin-4-yl]-N,N-dimethylmethanamine;2-[8-[(dimethylamino)methyl]quinolin-2-yl]-N,N-dimethylethanamine;ethane;methanone;bis(ruthenium(5+)) with MolForge

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Related Compounds

8-ethyl-2-propylquinoline
CID 58320607
2-[6-[2-(dimethylamino)ethyl]-2-pyridinyl]-N,N-dimethylethanamine
CID 23545476
3-(2-chloro-8-ethylquinolin-3-yl)-N,N-dimethylpropan-1-amine
CID 170866831
4-propylacridine
CID 609894
[2-[(dimethylamino)methyl]quinolin-8-yl]carbamic acid
CID 155227462
2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine
CID 80674407
acridin-4-ylmethyl 2-(dimethylamino)acetate
CID 10957363
N-[[9-[[2-(dimethylamino)ethylamino]methyl]-1,10-phenanthrolin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 10595963
3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 60987011
3-(6-methoxyquinolin-2-yl)-N,N-dimethylpropan-1-amine
CID 23204412
2-(5-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-dimethylethanamine
CID 117133330
2-(2-bromoethyl)-8-propan-2-ylquinoline
CID 175289474

Frequently Asked Questions

What is the IUPAC name of carbanide;1-[5-[(dimethylamino)methyl]acridin-4-yl]-N,N-dimethylmethanamine;2-[8-[(dimethylamino)methyl]quinolin-2-yl]-N,N-dimethylethanamine;ethane;methanone;bis(ruthenium(5+))?
The IUPAC name of carbanide;1-[5-[(dimethylamino)methyl]acridin-4-yl]-N,N-dimethylmethanamine;2-[8-[(dimethylamino)methyl]quinolin-2-yl]-N,N-dimethylethanamine;ethane;methanone;bis(ruthenium(5+)) (CID 159865588) is carbanide;1-[5-[(dimethylamino)methyl]acridin-4-yl]-N,N-dimethylmethanamine;2-[8-[(dimethylamino)methyl]quinolin-2-yl]-N,N-dimethylethanamine;ethane;methanone;bis(ruthenium(5+)).
What is the SMILES notation for carbanide;1-[5-[(dimethylamino)methyl]acridin-4-yl]-N,N-dimethylmethanamine;2-[8-[(dimethylamino)methyl]quinolin-2-yl]-N,N-dimethylethanamine;ethane;methanone;bis(ruthenium(5+))?
The canonical SMILES for carbanide;1-[5-[(dimethylamino)methyl]acridin-4-yl]-N,N-dimethylmethanamine;2-[8-[(dimethylamino)methyl]quinolin-2-yl]-N,N-dimethylethanamine;ethane;methanone;bis(ruthenium(5+)) is CC.CC.CN(C)CCc1ccc2cccc(CN(C)C)c2n1.CN(C)Cc1cccc2cc3cccc(CN(C)C)c3nc12.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[CH3-].[Ru+5].[Ru+5].
What is the InChIKey of carbanide;1-[5-[(dimethylamino)methyl]acridin-4-yl]-N,N-dimethylmethanamine;2-[8-[(dimethylamino)methyl]quinolin-2-yl]-N,N-dimethylethanamine;ethane;methanone;bis(ruthenium(5+))?
The InChIKey is WMWSLTATYDBORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3.C16H23N3.2C2H6.4CHO.2CH3.2Ru/c1-21(2)12-16-9-5-7-14-11-15-8-6-10-17(13-22(3)4)19(15)20-18(14)16;1-18(2)11-10-15-9-8-13-6-5-7-14(12-19(3)4)16(13)17-15;6*1-2;;;;/h5-11H,12-13H2,1-4H3;5-9H,10-12H2,1-4H3;2*1-2H3;4*1H;2*1H3;;/q;;;;6*-1;2*+5.
What are the key properties of carbanide;1-[5-[(dimethylamino)methyl]acridin-4-yl]-N,N-dimethylmethanamine;2-[8-[(dimethylamino)methyl]quinolin-2-yl]-N,N-dimethylethanamine;ethane;methanone;bis(ruthenium(5+))?
carbanide;1-[5-[(dimethylamino)methyl]acridin-4-yl]-N,N-dimethylmethanamine;2-[8-[(dimethylamino)methyl]quinolin-2-yl]-N,N-dimethylethanamine;ethane;methanone;bis(ruthenium(5+)) has a molecular weight of 959.22 g/mol, XLogP of 7.76, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-[5-[(dimethylamino)methyl]acridin-4-yl]-N,N-dimethylmethanamine;2-[8-[(dimethylamino)methyl]quinolin-2-yl]-N,N-dimethylethanamine;ethane;methanone;bis(ruthenium(5+)) is sourced from PubChem (CID 159865588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).