dizinc;2,6-bis[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-nitrophenolate;diacetate;hexafluorophosphate

C30H38F6N5O9PZn2 — CID 139157498

IUPACdizinc;2,6-bis[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-nitrophenolate;diacetate;hexafluorophosphate
SMILESCC(=O)[O-].CC(=O)[O-].COCCN(Cc1ccccn1)Cc1cc([N+](=O)[O-])cc(CN(CCOC)Cc2ccccn2)c1[O-].F[P-](F)(F)(F)(F)F.[Zn+2].[Zn+2]
InChIInChI=1S/C26H33N5O5.2C2H4O2.F6P.2Zn/c1-35-13-11-29(19-23-7-3-5-9-27-23)17-21-15-25(31(33)34)16-22(26(21)32)18-30(12-14-36-2)20-24-8-4-6-10-28-24;2*1-2(3)4;1-7(2,3,4,5)6;;/h3-10,15-16,32H,11-14,17-20H2,1-2H3;2*1H3,(H,3,4);;;/q;;;-1;2*+2/p-3
InChIKeyCYBSSAJBCOYSRS-UHFFFAOYSA-K
MW888.40 g/mol
LogP3.65
Rot. Bonds15

About dizinc;2,6-bis[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-nitrophenolate;diacetate;hexafluorophosphate

dizinc;2,6-bis[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-nitrophenolate;diacetate;hexafluorophosphate (PubChem CID 139157498) has the molecular formula C30H38F6N5O9PZn2 and a molecular weight of 888.40 g/mol. Its IUPAC name is dizinc;2,6-bis[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-nitrophenolate;diacetate;hexafluorophosphate.

Molecular Properties

Compound Namedizinc;2,6-bis[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-nitrophenolate;diacetate;hexafluorophosphate
PubChem CID139157498
Molecular FormulaC30H38F6N5O9PZn2
Molecular Weight888.40 g/mol
Exact Mass885.09
IUPAC Namedizinc;2,6-bis[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-nitrophenolate;diacetate;hexafluorophosphate
SMILESCC(=O)[O-].CC(=O)[O-].COCCN(Cc1ccccn1)Cc1cc([N+](=O)[O-])cc(CN(CCOC)Cc2ccccn2)c1[O-].F[P-](F)(F)(F)(F)F.[Zn+2].[Zn+2]
InChIInChI=1S/C26H33N5O5.2C2H4O2.F6P.2Zn/c1-35-13-11-29(19-23-7-3-5-9-27-23)17-21-15-25(31(33)34)16-22(26(21)32)18-30(12-14-36-2)20-24-8-4-6-10-28-24;2*1-2(3)4;1-7(2,3,4,5)6;;/h3-10,15-16,32H,11-14,17-20H2,1-2H3;2*1H3,(H,3,4);;;/q;;;-1;2*+2/p-3
InChIKeyCYBSSAJBCOYSRS-UHFFFAOYSA-K
XLogP3.65
TPSA197.18 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze dizinc;2,6-bis[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-nitrophenolate;diacetate;hexafluorophosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dizinc;2,6-bis[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-nitrophenolate;diacetate;hexafluorophosphate?
The IUPAC name of dizinc;2,6-bis[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-nitrophenolate;diacetate;hexafluorophosphate (CID 139157498) is dizinc;2,6-bis[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-nitrophenolate;diacetate;hexafluorophosphate.
What is the SMILES notation for dizinc;2,6-bis[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-nitrophenolate;diacetate;hexafluorophosphate?
The canonical SMILES for dizinc;2,6-bis[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-nitrophenolate;diacetate;hexafluorophosphate is CC(=O)[O-].CC(=O)[O-].COCCN(Cc1ccccn1)Cc1cc([N+](=O)[O-])cc(CN(CCOC)Cc2ccccn2)c1[O-].F[P-](F)(F)(F)(F)F.[Zn+2].[Zn+2].
What is the InChIKey of dizinc;2,6-bis[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-nitrophenolate;diacetate;hexafluorophosphate?
The InChIKey is CYBSSAJBCOYSRS-UHFFFAOYSA-K. The full InChI is InChI=1S/C26H33N5O5.2C2H4O2.F6P.2Zn/c1-35-13-11-29(19-23-7-3-5-9-27-23)17-21-15-25(31(33)34)16-22(26(21)32)18-30(12-14-36-2)20-24-8-4-6-10-28-24;2*1-2(3)4;1-7(2,3,4,5)6;;/h3-10,15-16,32H,11-14,17-20H2,1-2H3;2*1H3,(H,3,4);;;/q;;;-1;2*+2/p-3.
What are the key properties of dizinc;2,6-bis[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-nitrophenolate;diacetate;hexafluorophosphate?
dizinc;2,6-bis[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-nitrophenolate;diacetate;hexafluorophosphate has a molecular weight of 888.40 g/mol, XLogP of 3.65, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;2,6-bis[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-nitrophenolate;diacetate;hexafluorophosphate is sourced from PubChem (CID 139157498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).