azanide;5-[9,9-dioctyl-7-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+))

C49H102N12Ru2 — CID 140515719

IUPACazanide;5-[9,9-dioctyl-7-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+))
SMILESCCCCCCCCC1(CCCCCCCC)C2CC(C3CCC(C4CCCC[N-]4)[N-]C3)CCC2C2CCC(C3CCC(C4CCCC[N-]4)[N-]C3)CC21.[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[Ru+6].[Ru+6]
InChIInChI=1S/C49H86N4.8H2N.2Ru/c1-3-5-7-9-11-15-29-49(30-16-12-10-8-6-4-2)43-33-37(39-23-27-47(52-35-39)45-19-13-17-31-50-45)21-25-41(43)42-26-22-38(34-44(42)49)40-24-28-48(53-36-40)46-20-14-18-32-51-46;;;;;;;;;;/h37-48H,3-36H2,1-2H3;8*1H2;;/q-4;8*-1;2*+6
InChIKeyPRFTVJFOSQTADZ-UHFFFAOYSA-N
MW1061.58 g/mol
LogP20.44
Rot. Bonds18

About azanide;5-[9,9-dioctyl-7-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+))

azanide;5-[9,9-dioctyl-7-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+)) (PubChem CID 140515719) has the molecular formula C49H102N12Ru2 and a molecular weight of 1061.58 g/mol. Its IUPAC name is azanide;5-[9,9-dioctyl-7-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+)).

Molecular Properties

Compound Nameazanide;5-[9,9-dioctyl-7-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+))
PubChem CID140515719
Molecular FormulaC49H102N12Ru2
Molecular Weight1061.58 g/mol
Exact Mass1062.64
IUPAC Nameazanide;5-[9,9-dioctyl-7-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+))
SMILESCCCCCCCCC1(CCCCCCCC)C2CC(C3CCC(C4CCCC[N-]4)[N-]C3)CCC2C2CCC(C3CCC(C4CCCC[N-]4)[N-]C3)CC21.[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[Ru+6].[Ru+6]
InChIInChI=1S/C49H86N4.8H2N.2Ru/c1-3-5-7-9-11-15-29-49(30-16-12-10-8-6-4-2)43-33-37(39-23-27-47(52-35-39)45-19-13-17-31-50-45)21-25-41(43)42-26-22-38(34-44(42)49)40-24-28-48(53-36-40)46-20-14-18-32-51-46;;;;;;;;;;/h37-48H,3-36H2,1-2H3;8*1H2;;/q-4;8*-1;2*+6
InChIKeyPRFTVJFOSQTADZ-UHFFFAOYSA-N
XLogP20.44
TPSA324.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.58
LogP ≤ 520.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze azanide;5-[9,9-dioctyl-7-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+)) with MolForge

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Related Compounds

Azanide;5-[3-octyl-4-[2-octyl-4-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)cyclohexyl]cyclohexyl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+))
CID 140515712

Frequently Asked Questions

What is the IUPAC name of azanide;5-[9,9-dioctyl-7-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+))?
The IUPAC name of azanide;5-[9,9-dioctyl-7-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+)) (CID 140515719) is azanide;5-[9,9-dioctyl-7-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+)).
What is the SMILES notation for azanide;5-[9,9-dioctyl-7-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+))?
The canonical SMILES for azanide;5-[9,9-dioctyl-7-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+)) is CCCCCCCCC1(CCCCCCCC)C2CC(C3CCC(C4CCCC[N-]4)[N-]C3)CCC2C2CCC(C3CCC(C4CCCC[N-]4)[N-]C3)CC21.[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[Ru+6].[Ru+6].
What is the InChIKey of azanide;5-[9,9-dioctyl-7-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+))?
The InChIKey is PRFTVJFOSQTADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H86N4.8H2N.2Ru/c1-3-5-7-9-11-15-29-49(30-16-12-10-8-6-4-2)43-33-37(39-23-27-47(52-35-39)45-19-13-17-31-50-45)21-25-41(43)42-26-22-38(34-44(42)49)40-24-28-48(53-36-40)46-20-14-18-32-51-46;;;;;;;;;;/h37-48H,3-36H2,1-2H3;8*1H2;;/q-4;8*-1;2*+6.
What are the key properties of azanide;5-[9,9-dioctyl-7-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+))?
azanide;5-[9,9-dioctyl-7-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+)) has a molecular weight of 1061.58 g/mol, XLogP of 20.44, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;5-[9,9-dioctyl-7-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+)) is sourced from PubChem (CID 140515719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).