carbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium)

C53H84N8O5S4V10-10 — CID 159112707

IUPACcarbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium)
SMILESCc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ccon1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nccs1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V]
InChIInChI=1S/C5H7N.C5H6O.C5H6S.4C4H5NO.3C4H5NS.10CH3.10V/c3*1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;;;;;;;;;;;;;;;;;;;;/h2-4,6H,1H3;2*2-4H,1H3;7*2-3H,1H3;10*1H3;;;;;;;;;;/q;;;;;;;;;;10*-1;;;;;;;;;;
InChIKeyHHEQHAJZSLCXDL-UHFFFAOYSA-N
MW1551.01 g/mol
LogP17.73
Rot. Bonds

About carbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium)

carbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium) (PubChem CID 159112707) has the molecular formula C53H84N8O5S4V10-10 and a molecular weight of 1551.01 g/mol. Its IUPAC name is carbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium).

Molecular Properties

Compound Namecarbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium)
PubChem CID159112707
Molecular FormulaC53H84N8O5S4V10-10
Molecular Weight1551.01 g/mol
Exact Mass1549.99
IUPAC Namecarbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium)
SMILESCc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ccon1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nccs1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V]
InChIInChI=1S/C5H7N.C5H6O.C5H6S.4C4H5NO.3C4H5NS.10CH3.10V/c3*1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;;;;;;;;;;;;;;;;;;;;/h2-4,6H,1H3;2*2-4H,1H3;7*2-3H,1H3;10*1H3;;;;;;;;;;/q;;;;;;;;;;10*-1;;;;;;;;;;
InChIKeyHHEQHAJZSLCXDL-UHFFFAOYSA-N
XLogP17.73
TPSA171.72 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms80
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001551.01
LogP ≤ 517.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of carbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium)?
The IUPAC name of carbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium) (CID 159112707) is carbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium).
What is the SMILES notation for carbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium)?
The canonical SMILES for carbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium) is Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ccon1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nccs1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].
What is the InChIKey of carbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium)?
The InChIKey is HHEQHAJZSLCXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C5H6O.C5H6S.4C4H5NO.3C4H5NS.10CH3.10V/c3*1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;;;;;;;;;;;;;;;;;;;;/h2-4,6H,1H3;2*2-4H,1H3;7*2-3H,1H3;10*1H3;;;;;;;;;;/q;;;;;;;;;;10*-1;;;;;;;;;;.
What are the key properties of carbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium)?
carbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium) has a molecular weight of 1551.01 g/mol, XLogP of 17.73, 0 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium) is sourced from PubChem (CID 159112707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).