diiodovanadium;dimethylazanide;ethane;iodomethane;methanamine;methane;tetrakis(2-nitroaniline);propane;rutherfordium;triiodovanadium

C42H80I6N10O8RfV2- — CID 160959013

IUPACdiiodovanadium;dimethylazanide;ethane;iodomethane;methanamine;methane;tetrakis(2-nitroaniline);propane;rutherfordium;triiodovanadium
SMILESC.CC.CC.CC.CC.CC.CCC.CI.CN.C[N-]C.I[V](I)I.I[V]I.Nc1ccccc1[N+](=O)[O-].Nc1ccccc1[N+](=O)[O-].Nc1ccccc1[N+](=O)[O-].Nc1ccccc1[N+](=O)[O-].[Rf]
InChIInChI=1S/4C6H6N2O2.C3H8.C2H6N.5C2H6.CH3I.CH5N.CH4.5HI.Rf.2V/c4*7-5-3-1-2-4-6(5)8(9)10;2*1-3-2;7*1-2;;;;;;;;;/h4*1-4H,7H2;3H2,1-2H3;1-2H3;5*1-2H3;1H3;2H2,1H3;1H4;5*1H;;;/q;;;;;-1;;;;;;;;;;;;;;;+2;+3/p-5
InChIKeyZVOKANDJKCHMMB-UHFFFAOYSA-I
MW1983.48 g/mol
LogP17.56
Rot. Bonds4

About diiodovanadium;dimethylazanide;ethane;iodomethane;methanamine;methane;tetrakis(2-nitroaniline);propane;rutherfordium;triiodovanadium

diiodovanadium;dimethylazanide;ethane;iodomethane;methanamine;methane;tetrakis(2-nitroaniline);propane;rutherfordium;triiodovanadium (PubChem CID 160959013) has the molecular formula C42H80I6N10O8RfV2- and a molecular weight of 1983.48 g/mol. Its IUPAC name is diiodovanadium;dimethylazanide;ethane;iodomethane;methanamine;methane;tetrakis(2-nitroaniline);propane;rutherfordium;triiodovanadium.

Molecular Properties

Compound Namediiodovanadium;dimethylazanide;ethane;iodomethane;methanamine;methane;tetrakis(2-nitroaniline);propane;rutherfordium;triiodovanadium
PubChem CID160959013
Molecular FormulaC42H80I6N10O8RfV2-
Molecular Weight1983.48 g/mol
Exact Mass1983.05
IUPAC Namediiodovanadium;dimethylazanide;ethane;iodomethane;methanamine;methane;tetrakis(2-nitroaniline);propane;rutherfordium;triiodovanadium
SMILESC.CC.CC.CC.CC.CC.CCC.CI.CN.C[N-]C.I[V](I)I.I[V]I.Nc1ccccc1[N+](=O)[O-].Nc1ccccc1[N+](=O)[O-].Nc1ccccc1[N+](=O)[O-].Nc1ccccc1[N+](=O)[O-].[Rf]
InChIInChI=1S/4C6H6N2O2.C3H8.C2H6N.5C2H6.CH3I.CH5N.CH4.5HI.Rf.2V/c4*7-5-3-1-2-4-6(5)8(9)10;2*1-3-2;7*1-2;;;;;;;;;/h4*1-4H,7H2;3H2,1-2H3;1-2H3;5*1-2H3;1H3;2H2,1H3;1H4;5*1H;;;/q;;;;;-1;;;;;;;;;;;;;;;+2;+3/p-5
InChIKeyZVOKANDJKCHMMB-UHFFFAOYSA-I
XLogP17.56
TPSA316.76 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001983.48
LogP ≤ 517.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diiodovanadium;dimethylazanide;ethane;iodomethane;methanamine;methane;tetrakis(2-nitroaniline);propane;rutherfordium;triiodovanadium?
The IUPAC name of diiodovanadium;dimethylazanide;ethane;iodomethane;methanamine;methane;tetrakis(2-nitroaniline);propane;rutherfordium;triiodovanadium (CID 160959013) is diiodovanadium;dimethylazanide;ethane;iodomethane;methanamine;methane;tetrakis(2-nitroaniline);propane;rutherfordium;triiodovanadium.
What is the SMILES notation for diiodovanadium;dimethylazanide;ethane;iodomethane;methanamine;methane;tetrakis(2-nitroaniline);propane;rutherfordium;triiodovanadium?
The canonical SMILES for diiodovanadium;dimethylazanide;ethane;iodomethane;methanamine;methane;tetrakis(2-nitroaniline);propane;rutherfordium;triiodovanadium is C.CC.CC.CC.CC.CC.CCC.CI.CN.C[N-]C.I[V](I)I.I[V]I.Nc1ccccc1[N+](=O)[O-].Nc1ccccc1[N+](=O)[O-].Nc1ccccc1[N+](=O)[O-].Nc1ccccc1[N+](=O)[O-].[Rf].
What is the InChIKey of diiodovanadium;dimethylazanide;ethane;iodomethane;methanamine;methane;tetrakis(2-nitroaniline);propane;rutherfordium;triiodovanadium?
The InChIKey is ZVOKANDJKCHMMB-UHFFFAOYSA-I. The full InChI is InChI=1S/4C6H6N2O2.C3H8.C2H6N.5C2H6.CH3I.CH5N.CH4.5HI.Rf.2V/c4*7-5-3-1-2-4-6(5)8(9)10;2*1-3-2;7*1-2;;;;;;;;;/h4*1-4H,7H2;3H2,1-2H3;1-2H3;5*1-2H3;1H3;2H2,1H3;1H4;5*1H;;;/q;;;;;-1;;;;;;;;;;;;;;;+2;+3/p-5.
What are the key properties of diiodovanadium;dimethylazanide;ethane;iodomethane;methanamine;methane;tetrakis(2-nitroaniline);propane;rutherfordium;triiodovanadium?
diiodovanadium;dimethylazanide;ethane;iodomethane;methanamine;methane;tetrakis(2-nitroaniline);propane;rutherfordium;triiodovanadium has a molecular weight of 1983.48 g/mol, XLogP of 17.56, 4 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for diiodovanadium;dimethylazanide;ethane;iodomethane;methanamine;methane;tetrakis(2-nitroaniline);propane;rutherfordium;triiodovanadium is sourced from PubChem (CID 160959013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).