aniline;pentakis(oxygen(2-));bis(vanadium)

C12H14N2O5V2-10 — CID 173287766

IUPACaniline;pentakis(oxygen(2-));bis(vanadium)
SMILESNc1ccccc1.Nc1ccccc1.[O-2].[O-2].[O-2].[O-2].[O-2].[V].[V]
InChIInChI=1S/2C6H7N.5O.2V/c2*7-6-4-2-1-3-5-6;;;;;;;/h2*1-5H,7H2;;;;;;;/q;;5*-2;;
InChIKeyKCEAAIWFFZGRPG-UHFFFAOYSA-N
MW368.14 g/mol
LogP1.94
Rot. Bonds

About aniline;pentakis(oxygen(2-));bis(vanadium)

aniline;pentakis(oxygen(2-));bis(vanadium) (PubChem CID 173287766) has the molecular formula C12H14N2O5V2-10 and a molecular weight of 368.14 g/mol. Its IUPAC name is aniline;pentakis(oxygen(2-));bis(vanadium).

Molecular Properties

Compound Nameaniline;pentakis(oxygen(2-));bis(vanadium)
PubChem CID173287766
Molecular FormulaC12H14N2O5V2-10
Molecular Weight368.14 g/mol
Exact Mass367.98
IUPAC Nameaniline;pentakis(oxygen(2-));bis(vanadium)
SMILESNc1ccccc1.Nc1ccccc1.[O-2].[O-2].[O-2].[O-2].[O-2].[V].[V]
InChIInChI=1S/2C6H7N.5O.2V/c2*7-6-4-2-1-3-5-6;;;;;;;/h2*1-5H,7H2;;;;;;;/q;;5*-2;;
InChIKeyKCEAAIWFFZGRPG-UHFFFAOYSA-N
XLogP1.94
TPSA194.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.14
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

aniline;mercury
CID 54604260
aniline;mercury(2+)
CID 23616182
aniline;azane
CID 171780637
aniline;niobium
CID 161015220
aniline;carbanide;hafnium
CID 158735732
zinc;aniline;dichloride
CID 70636252
aniline;sulfane;hydrofluoride
CID 174744569
magnesium;aniline;carbanide
CID 87207909
CID 158400952
CID 158400952
sodium;aniline;hydride;dihydrate
CID 173275717
aniline;methanol
CID 140536335
aniline;cyclobutane
CID 174919664

Frequently Asked Questions

What is the IUPAC name of aniline;pentakis(oxygen(2-));bis(vanadium)?
The IUPAC name of aniline;pentakis(oxygen(2-));bis(vanadium) (CID 173287766) is aniline;pentakis(oxygen(2-));bis(vanadium).
What is the SMILES notation for aniline;pentakis(oxygen(2-));bis(vanadium)?
The canonical SMILES for aniline;pentakis(oxygen(2-));bis(vanadium) is Nc1ccccc1.Nc1ccccc1.[O-2].[O-2].[O-2].[O-2].[O-2].[V].[V].
What is the InChIKey of aniline;pentakis(oxygen(2-));bis(vanadium)?
The InChIKey is KCEAAIWFFZGRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.5O.2V/c2*7-6-4-2-1-3-5-6;;;;;;;/h2*1-5H,7H2;;;;;;;/q;;5*-2;;.
What are the key properties of aniline;pentakis(oxygen(2-));bis(vanadium)?
aniline;pentakis(oxygen(2-));bis(vanadium) has a molecular weight of 368.14 g/mol, XLogP of 1.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;pentakis(oxygen(2-));bis(vanadium) is sourced from PubChem (CID 173287766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).