tetrakis(2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate);ethoxyethane;hexakis(oxygen(2-));tetrakis(vanadium)

C144H236N8O16V4-20 — CID 139132339

IUPACtetrakis(2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate);ethoxyethane;hexakis(oxygen(2-));tetrakis(vanadium)
SMILESCCOCC.CCOCC.CN(C)CCN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-])Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].CN(C)CCN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-])Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].CN(C)CCN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-])Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].CN(C)CCN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-])Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[V].[V].[V].[V]
InChIInChI=1S/4C34H56N2O2.2C4H10O.6O.4V/c4*1-31(2,3)25-17-23(29(37)27(19-25)33(7,8)9)21-36(16-15-35(13)14)22-24-18-26(32(4,5)6)20-28(30(24)38)34(10,11)12;2*1-3-5-4-2;;;;;;;;;;/h4*17-20,37-38H,15-16,21-22H2,1-14H3;2*3-4H2,1-2H3;;;;;;;;;;/q;;;;;;6*-2;;;;/p-8
InChIKeyVAMIKSKZHFQTFL-UHFFFAOYSA-F
MW2539.29 g/mol
LogP27.71
Rot. Bonds32

About tetrakis(2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate);ethoxyethane;hexakis(oxygen(2-));tetrakis(vanadium)

tetrakis(2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate);ethoxyethane;hexakis(oxygen(2-));tetrakis(vanadium) (PubChem CID 139132339) has the molecular formula C144H236N8O16V4-20 and a molecular weight of 2539.29 g/mol. Its IUPAC name is tetrakis(2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate);ethoxyethane;hexakis(oxygen(2-));tetrakis(vanadium).

Molecular Properties

Compound Nametetrakis(2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate);ethoxyethane;hexakis(oxygen(2-));tetrakis(vanadium)
PubChem CID139132339
Molecular FormulaC144H236N8O16V4-20
Molecular Weight2539.29 g/mol
Exact Mass2537.58
IUPAC Nametetrakis(2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate);ethoxyethane;hexakis(oxygen(2-));tetrakis(vanadium)
SMILESCCOCC.CCOCC.CN(C)CCN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-])Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].CN(C)CCN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-])Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].CN(C)CCN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-])Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].CN(C)CCN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-])Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[V].[V].[V].[V]
InChIInChI=1S/4C34H56N2O2.2C4H10O.6O.4V/c4*1-31(2,3)25-17-23(29(37)27(19-25)33(7,8)9)21-36(16-15-35(13)14)22-24-18-26(32(4,5)6)20-28(30(24)38)34(10,11)12;2*1-3-5-4-2;;;;;;;;;;/h4*17-20,37-38H,15-16,21-22H2,1-14H3;2*3-4H2,1-2H3;;;;;;;;;;/q;;;;;;6*-2;;;;/p-8
InChIKeyVAMIKSKZHFQTFL-UHFFFAOYSA-F
XLogP27.71
TPSA399.86 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds32
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002539.29
LogP ≤ 527.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze tetrakis(2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate);ethoxyethane;hexakis(oxygen(2-));tetrakis(vanadium) 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 tetrakis(2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate);ethoxyethane;hexakis(oxygen(2-));tetrakis(vanadium)?
The IUPAC name of tetrakis(2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate);ethoxyethane;hexakis(oxygen(2-));tetrakis(vanadium) (CID 139132339) is tetrakis(2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate);ethoxyethane;hexakis(oxygen(2-));tetrakis(vanadium).
What is the SMILES notation for tetrakis(2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate);ethoxyethane;hexakis(oxygen(2-));tetrakis(vanadium)?
The canonical SMILES for tetrakis(2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate);ethoxyethane;hexakis(oxygen(2-));tetrakis(vanadium) is CCOCC.CCOCC.CN(C)CCN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-])Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].CN(C)CCN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-])Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].CN(C)CCN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-])Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].CN(C)CCN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-])Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[V].[V].[V].[V].
What is the InChIKey of tetrakis(2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate);ethoxyethane;hexakis(oxygen(2-));tetrakis(vanadium)?
The InChIKey is VAMIKSKZHFQTFL-UHFFFAOYSA-F. The full InChI is InChI=1S/4C34H56N2O2.2C4H10O.6O.4V/c4*1-31(2,3)25-17-23(29(37)27(19-25)33(7,8)9)21-36(16-15-35(13)14)22-24-18-26(32(4,5)6)20-28(30(24)38)34(10,11)12;2*1-3-5-4-2;;;;;;;;;;/h4*17-20,37-38H,15-16,21-22H2,1-14H3;2*3-4H2,1-2H3;;;;;;;;;;/q;;;;;;6*-2;;;;/p-8.
What are the key properties of tetrakis(2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate);ethoxyethane;hexakis(oxygen(2-));tetrakis(vanadium)?
tetrakis(2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate);ethoxyethane;hexakis(oxygen(2-));tetrakis(vanadium) has a molecular weight of 2539.29 g/mol, XLogP of 27.71, 32 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate);ethoxyethane;hexakis(oxygen(2-));tetrakis(vanadium) is sourced from PubChem (CID 139132339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).