benzene;carbanide;ethane;bis(2-methylpyrazine);pyrazine;tris(2,4,6-trimethylpyrimidine);hexakis(vanadium)

C89H136N12V6-6 — CID 159263341

IUPACbenzene;carbanide;ethane;bis(2-methylpyrazine);pyrazine;tris(2,4,6-trimethylpyrimidine);hexakis(vanadium)
SMILESCC.CC.CC.CC.CC.CC.Cc1cc(C)nc(C)n1.Cc1cc(C)nc(C)n1.Cc1cc(C)nc(C)n1.Cc1cnccn1.Cc1cnccn1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[V].[V].[V].[V].[V].[V].c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1cnccn1
InChIInChI=1S/3C7H10N2.6C6H6.2C5H6N2.C4H4N2.6C2H6.6CH3.6V/c3*1-5-4-6(2)9-7(3)8-5;6*1-2-4-6-5-3-1;2*1-5-4-6-2-3-7-5;1-2-6-4-3-5-1;6*1-2;;;;;;;;;;;;/h3*4H,1-3H3;6*1-6H;2*2-4H,1H3;1-4H;6*1-2H3;6*1H3;;;;;;/q;;;;;;;;;;;;;;;;;;6*-1;;;;;;
InChIKeyXCBXFRKKNPZERS-UHFFFAOYSA-N
MW1679.81 g/mol
LogP25.22
Rot. Bonds

About benzene;carbanide;ethane;bis(2-methylpyrazine);pyrazine;tris(2,4,6-trimethylpyrimidine);hexakis(vanadium)

benzene;carbanide;ethane;bis(2-methylpyrazine);pyrazine;tris(2,4,6-trimethylpyrimidine);hexakis(vanadium) (PubChem CID 159263341) has the molecular formula C89H136N12V6-6 and a molecular weight of 1679.81 g/mol. Its IUPAC name is benzene;carbanide;ethane;bis(2-methylpyrazine);pyrazine;tris(2,4,6-trimethylpyrimidine);hexakis(vanadium).

Molecular Properties

Compound Namebenzene;carbanide;ethane;bis(2-methylpyrazine);pyrazine;tris(2,4,6-trimethylpyrimidine);hexakis(vanadium)
PubChem CID159263341
Molecular FormulaC89H136N12V6-6
Molecular Weight1679.81 g/mol
Exact Mass1678.77
IUPAC Namebenzene;carbanide;ethane;bis(2-methylpyrazine);pyrazine;tris(2,4,6-trimethylpyrimidine);hexakis(vanadium)
SMILESCC.CC.CC.CC.CC.CC.Cc1cc(C)nc(C)n1.Cc1cc(C)nc(C)n1.Cc1cc(C)nc(C)n1.Cc1cnccn1.Cc1cnccn1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[V].[V].[V].[V].[V].[V].c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1cnccn1
InChIInChI=1S/3C7H10N2.6C6H6.2C5H6N2.C4H4N2.6C2H6.6CH3.6V/c3*1-5-4-6(2)9-7(3)8-5;6*1-2-4-6-5-3-1;2*1-5-4-6-2-3-7-5;1-2-6-4-3-5-1;6*1-2;;;;;;;;;;;;/h3*4H,1-3H3;6*1-6H;2*2-4H,1H3;1-4H;6*1-2H3;6*1H3;;;;;;/q;;;;;;;;;;;;;;;;;;6*-1;;;;;;
InChIKeyXCBXFRKKNPZERS-UHFFFAOYSA-N
XLogP25.22
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001679.81
LogP ≤ 525.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze benzene;carbanide;ethane;bis(2-methylpyrazine);pyrazine;tris(2,4,6-trimethylpyrimidine);hexakis(vanadium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Dipyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 5061793
2-Phenyl-4,6-bis(3,5-dipyridylphenyl)pyrimidine
CID 101791711
ethane;2-(3-methylbutyl)pyrazine;2-(3-methylbutyl)pyridine;2-(3-methylbutyl)pyrimidine;4-(3-methylbutyl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-(trifluoromethyl)benzene;N-methyl-N-propan-2-ylaniline;tetrakis(2-methylpropylbenzene)
CID 158216192
2-(2-Methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 158435694
1,5-Dimethyl-3-(trifluoromethyl)pyrazole;ethane;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine
CID 160082546
2,6-Dimethylpyrazine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,6-dimethyl-4-(trifluoromethyl)pyridine
CID 160979837
4-(4-Methylpiperazin-1-yl)-2,6-dipyridin-2-ylpyrimidine
CID 5065096
5-Pyrazin-2-yl-2-pyridin-2-yl-4-pyridin-4-ylpyrimidine
CID 4178577
4-(4-Phenylpiperazin-1-yl)-2-(piperidin-1-yl)pteridine
CID 39309947
4,6-Bis(4,6-dipyridin-3-yl-2-pyridinyl)-2-phenylpyrimidine
CID 86084083
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(pyridin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 91480322
2-Phenyl-4,6-bis(6-pyridin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrimidine
CID 101163111

Frequently Asked Questions

What is the IUPAC name of benzene;carbanide;ethane;bis(2-methylpyrazine);pyrazine;tris(2,4,6-trimethylpyrimidine);hexakis(vanadium)?
The IUPAC name of benzene;carbanide;ethane;bis(2-methylpyrazine);pyrazine;tris(2,4,6-trimethylpyrimidine);hexakis(vanadium) (CID 159263341) is benzene;carbanide;ethane;bis(2-methylpyrazine);pyrazine;tris(2,4,6-trimethylpyrimidine);hexakis(vanadium).
What is the SMILES notation for benzene;carbanide;ethane;bis(2-methylpyrazine);pyrazine;tris(2,4,6-trimethylpyrimidine);hexakis(vanadium)?
The canonical SMILES for benzene;carbanide;ethane;bis(2-methylpyrazine);pyrazine;tris(2,4,6-trimethylpyrimidine);hexakis(vanadium) is CC.CC.CC.CC.CC.CC.Cc1cc(C)nc(C)n1.Cc1cc(C)nc(C)n1.Cc1cc(C)nc(C)n1.Cc1cnccn1.Cc1cnccn1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[V].[V].[V].[V].[V].[V].c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1cnccn1.
What is the InChIKey of benzene;carbanide;ethane;bis(2-methylpyrazine);pyrazine;tris(2,4,6-trimethylpyrimidine);hexakis(vanadium)?
The InChIKey is XCBXFRKKNPZERS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H10N2.6C6H6.2C5H6N2.C4H4N2.6C2H6.6CH3.6V/c3*1-5-4-6(2)9-7(3)8-5;6*1-2-4-6-5-3-1;2*1-5-4-6-2-3-7-5;1-2-6-4-3-5-1;6*1-2;;;;;;;;;;;;/h3*4H,1-3H3;6*1-6H;2*2-4H,1H3;1-4H;6*1-2H3;6*1H3;;;;;;/q;;;;;;;;;;;;;;;;;;6*-1;;;;;;.
What are the key properties of benzene;carbanide;ethane;bis(2-methylpyrazine);pyrazine;tris(2,4,6-trimethylpyrimidine);hexakis(vanadium)?
benzene;carbanide;ethane;bis(2-methylpyrazine);pyrazine;tris(2,4,6-trimethylpyrimidine);hexakis(vanadium) has a molecular weight of 1679.81 g/mol, XLogP of 25.22, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;carbanide;ethane;bis(2-methylpyrazine);pyrazine;tris(2,4,6-trimethylpyrimidine);hexakis(vanadium) is sourced from PubChem (CID 159263341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).