azanide;dichloromercury;4-[2-[9,9-diethyl-7-(2-piperidin-1-id-4-ylethynyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]ethynyl]-2H-pyridin-1-ide;mercury(1+)

C31H44Cl2Hg2N3-2 — CID 5231723

IUPACazanide;dichloromercury;4-[2-[9,9-diethyl-7-(2-piperidin-1-id-4-ylethynyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]ethynyl]-2H-pyridin-1-ide;mercury(1+)
SMILESCCC1(CC)C2CC(C#CC3=CC[N-]C=C3)CCC2C2CCC(C#CC3CC[N-]CC3)CC21.Cl[Hg]Cl.[Hg+].[NH2-]
InChIInChI=1S/C31H42N2.2ClH.2Hg.H2N/c1-3-31(4-2)29-21-25(7-5-23-13-17-32-18-14-23)9-11-27(29)28-12-10-26(22-30(28)31)8-6-24-15-19-33-20-16-24;;;;;/h13-14,17,24-30H,3-4,9-12,15-16,18-22H2,1-2H3;2*1H;;;1H2/q-2;;;+1;+2;-1/p-2
InChIKeyBXAMBCLYIDPQML-UHFFFAOYSA-L
MW930.80 g/mol
LogP9.58
Rot. Bonds2

About azanide;dichloromercury;4-[2-[9,9-diethyl-7-(2-piperidin-1-id-4-ylethynyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]ethynyl]-2H-pyridin-1-ide;mercury(1+)

azanide;dichloromercury;4-[2-[9,9-diethyl-7-(2-piperidin-1-id-4-ylethynyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]ethynyl]-2H-pyridin-1-ide;mercury(1+) (PubChem CID 5231723) has the molecular formula C31H44Cl2Hg2N3-2 and a molecular weight of 930.80 g/mol. Its IUPAC name is azanide;dichloromercury;4-[2-[9,9-diethyl-7-(2-piperidin-1-id-4-ylethynyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]ethynyl]-2H-pyridin-1-ide;mercury(1+).

Molecular Properties

Compound Nameazanide;dichloromercury;4-[2-[9,9-diethyl-7-(2-piperidin-1-id-4-ylethynyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]ethynyl]-2H-pyridin-1-ide;mercury(1+)
PubChem CID5231723
Molecular FormulaC31H44Cl2Hg2N3-2
Molecular Weight930.80 g/mol
Exact Mass932.23
IUPAC Nameazanide;dichloromercury;4-[2-[9,9-diethyl-7-(2-piperidin-1-id-4-ylethynyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]ethynyl]-2H-pyridin-1-ide;mercury(1+)
SMILESCCC1(CC)C2CC(C#CC3=CC[N-]C=C3)CCC2C2CCC(C#CC3CC[N-]CC3)CC21.Cl[Hg]Cl.[Hg+].[NH2-]
InChIInChI=1S/C31H42N2.2ClH.2Hg.H2N/c1-3-31(4-2)29-21-25(7-5-23-13-17-32-18-14-23)9-11-27(29)28-12-10-26(22-30(28)31)8-6-24-15-19-33-20-16-24;;;;;/h13-14,17,24-30H,3-4,9-12,15-16,18-22H2,1-2H3;2*1H;;;1H2/q-2;;;+1;+2;-1/p-2
InChIKeyBXAMBCLYIDPQML-UHFFFAOYSA-L
XLogP9.58
TPSA61.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.80
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze azanide;dichloromercury;4-[2-[9,9-diethyl-7-(2-piperidin-1-id-4-ylethynyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]ethynyl]-2H-pyridin-1-ide;mercury(1+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of azanide;dichloromercury;4-[2-[9,9-diethyl-7-(2-piperidin-1-id-4-ylethynyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]ethynyl]-2H-pyridin-1-ide;mercury(1+)?
The IUPAC name of azanide;dichloromercury;4-[2-[9,9-diethyl-7-(2-piperidin-1-id-4-ylethynyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]ethynyl]-2H-pyridin-1-ide;mercury(1+) (CID 5231723) is azanide;dichloromercury;4-[2-[9,9-diethyl-7-(2-piperidin-1-id-4-ylethynyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]ethynyl]-2H-pyridin-1-ide;mercury(1+).
What is the SMILES notation for azanide;dichloromercury;4-[2-[9,9-diethyl-7-(2-piperidin-1-id-4-ylethynyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]ethynyl]-2H-pyridin-1-ide;mercury(1+)?
The canonical SMILES for azanide;dichloromercury;4-[2-[9,9-diethyl-7-(2-piperidin-1-id-4-ylethynyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]ethynyl]-2H-pyridin-1-ide;mercury(1+) is CCC1(CC)C2CC(C#CC3=CC[N-]C=C3)CCC2C2CCC(C#CC3CC[N-]CC3)CC21.Cl[Hg]Cl.[Hg+].[NH2-].
What is the InChIKey of azanide;dichloromercury;4-[2-[9,9-diethyl-7-(2-piperidin-1-id-4-ylethynyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]ethynyl]-2H-pyridin-1-ide;mercury(1+)?
The InChIKey is BXAMBCLYIDPQML-UHFFFAOYSA-L. The full InChI is InChI=1S/C31H42N2.2ClH.2Hg.H2N/c1-3-31(4-2)29-21-25(7-5-23-13-17-32-18-14-23)9-11-27(29)28-12-10-26(22-30(28)31)8-6-24-15-19-33-20-16-24;;;;;/h13-14,17,24-30H,3-4,9-12,15-16,18-22H2,1-2H3;2*1H;;;1H2/q-2;;;+1;+2;-1/p-2.
What are the key properties of azanide;dichloromercury;4-[2-[9,9-diethyl-7-(2-piperidin-1-id-4-ylethynyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]ethynyl]-2H-pyridin-1-ide;mercury(1+)?
azanide;dichloromercury;4-[2-[9,9-diethyl-7-(2-piperidin-1-id-4-ylethynyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]ethynyl]-2H-pyridin-1-ide;mercury(1+) has a molecular weight of 930.80 g/mol, XLogP of 9.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;dichloromercury;4-[2-[9,9-diethyl-7-(2-piperidin-1-id-4-ylethynyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]ethynyl]-2H-pyridin-1-ide;mercury(1+) is sourced from PubChem (CID 5231723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).