benzene;carbanide;ethane;iodoethane;methane;propan-2-ol;prop-1-ene;1,1,1-triiodoethane;bis(N,N,N'-trimethylmethanimidamide);tungsten;vanadium

C37H76I4N4OVW4-2 — CID 158962166

IUPACbenzene;carbanide;ethane;iodoethane;methane;propan-2-ol;prop-1-ene;1,1,1-triiodoethane;bis(N,N,N'-trimethylmethanimidamide);tungsten;vanadium
SMILESC.C.C/N=C/N(C)C.C/N=C/N(C)C.C=CC.CC.CC.CC(C)O.CC(I)(I)I.C[CH-]I.[CH3-].[V].[W].[W].[W].[W].c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.2C4H10N2.C3H8O.C3H6.C2H3I3.C2H4I.2C2H6.2CH4.CH3.V.4W/c2*1-2-4-6-5-3-1;2*1-5-4-6(2)3;1-3(2)4;1-3-2;1-2(3,4)5;1-2-3;2*1-2;;;;;;;;/h2*1-6H;2*4H,1-3H3;3-4H,1-2H3;3H,1H2,2H3;1H3;2H,1H3;2*1-2H3;2*1H4;1H3;;;;;/q;;;;;;;-1;;;;;-1;;;;;/b;;2*5-4+;;;;;;;;;;;;;;
InChIKeyGGPACWLNJJPUER-SRCBUKDLSA-N
MW1886.96 g/mol
LogP13.70
Rot. Bonds2

About benzene;carbanide;ethane;iodoethane;methane;propan-2-ol;prop-1-ene;1,1,1-triiodoethane;bis(N,N,N'-trimethylmethanimidamide);tungsten;vanadium

benzene;carbanide;ethane;iodoethane;methane;propan-2-ol;prop-1-ene;1,1,1-triiodoethane;bis(N,N,N'-trimethylmethanimidamide);tungsten;vanadium (PubChem CID 158962166) has the molecular formula C37H76I4N4OVW4-2 and a molecular weight of 1886.96 g/mol. Its IUPAC name is benzene;carbanide;ethane;iodoethane;methane;propan-2-ol;prop-1-ene;1,1,1-triiodoethane;bis(N,N,N'-trimethylmethanimidamide);tungsten;vanadium.

Molecular Properties

Compound Namebenzene;carbanide;ethane;iodoethane;methane;propan-2-ol;prop-1-ene;1,1,1-triiodoethane;bis(N,N,N'-trimethylmethanimidamide);tungsten;vanadium
PubChem CID158962166
Molecular FormulaC37H76I4N4OVW4-2
Molecular Weight1886.96 g/mol
Exact Mass1886.97
IUPAC Namebenzene;carbanide;ethane;iodoethane;methane;propan-2-ol;prop-1-ene;1,1,1-triiodoethane;bis(N,N,N'-trimethylmethanimidamide);tungsten;vanadium
SMILESC.C.C/N=C/N(C)C.C/N=C/N(C)C.C=CC.CC.CC.CC(C)O.CC(I)(I)I.C[CH-]I.[CH3-].[V].[W].[W].[W].[W].c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.2C4H10N2.C3H8O.C3H6.C2H3I3.C2H4I.2C2H6.2CH4.CH3.V.4W/c2*1-2-4-6-5-3-1;2*1-5-4-6(2)3;1-3(2)4;1-3-2;1-2(3,4)5;1-2-3;2*1-2;;;;;;;;/h2*1-6H;2*4H,1-3H3;3-4H,1-2H3;3H,1H2,2H3;1H3;2H,1H3;2*1-2H3;2*1H4;1H3;;;;;/q;;;;;;;-1;;;;;-1;;;;;/b;;2*5-4+;;;;;;;;;;;;;;
InChIKeyGGPACWLNJJPUER-SRCBUKDLSA-N
XLogP13.70
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001886.96
LogP ≤ 513.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze benzene;carbanide;ethane;iodoethane;methane;propan-2-ol;prop-1-ene;1,1,1-triiodoethane;bis(N,N,N'-trimethylmethanimidamide);tungsten;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 benzene;carbanide;ethane;iodoethane;methane;propan-2-ol;prop-1-ene;1,1,1-triiodoethane;bis(N,N,N'-trimethylmethanimidamide);tungsten;vanadium?
The IUPAC name of benzene;carbanide;ethane;iodoethane;methane;propan-2-ol;prop-1-ene;1,1,1-triiodoethane;bis(N,N,N'-trimethylmethanimidamide);tungsten;vanadium (CID 158962166) is benzene;carbanide;ethane;iodoethane;methane;propan-2-ol;prop-1-ene;1,1,1-triiodoethane;bis(N,N,N'-trimethylmethanimidamide);tungsten;vanadium.
What is the SMILES notation for benzene;carbanide;ethane;iodoethane;methane;propan-2-ol;prop-1-ene;1,1,1-triiodoethane;bis(N,N,N'-trimethylmethanimidamide);tungsten;vanadium?
The canonical SMILES for benzene;carbanide;ethane;iodoethane;methane;propan-2-ol;prop-1-ene;1,1,1-triiodoethane;bis(N,N,N'-trimethylmethanimidamide);tungsten;vanadium is C.C.C/N=C/N(C)C.C/N=C/N(C)C.C=CC.CC.CC.CC(C)O.CC(I)(I)I.C[CH-]I.[CH3-].[V].[W].[W].[W].[W].c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;carbanide;ethane;iodoethane;methane;propan-2-ol;prop-1-ene;1,1,1-triiodoethane;bis(N,N,N'-trimethylmethanimidamide);tungsten;vanadium?
The InChIKey is GGPACWLNJJPUER-SRCBUKDLSA-N. The full InChI is InChI=1S/2C6H6.2C4H10N2.C3H8O.C3H6.C2H3I3.C2H4I.2C2H6.2CH4.CH3.V.4W/c2*1-2-4-6-5-3-1;2*1-5-4-6(2)3;1-3(2)4;1-3-2;1-2(3,4)5;1-2-3;2*1-2;;;;;;;;/h2*1-6H;2*4H,1-3H3;3-4H,1-2H3;3H,1H2,2H3;1H3;2H,1H3;2*1-2H3;2*1H4;1H3;;;;;/q;;;;;;;-1;;;;;-1;;;;;/b;;2*5-4+;;;;;;;;;;;;;;.
What are the key properties of benzene;carbanide;ethane;iodoethane;methane;propan-2-ol;prop-1-ene;1,1,1-triiodoethane;bis(N,N,N'-trimethylmethanimidamide);tungsten;vanadium?
benzene;carbanide;ethane;iodoethane;methane;propan-2-ol;prop-1-ene;1,1,1-triiodoethane;bis(N,N,N'-trimethylmethanimidamide);tungsten;vanadium has a molecular weight of 1886.96 g/mol, XLogP of 13.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;carbanide;ethane;iodoethane;methane;propan-2-ol;prop-1-ene;1,1,1-triiodoethane;bis(N,N,N'-trimethylmethanimidamide);tungsten;vanadium is sourced from PubChem (CID 158962166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).