furan;tetrakis(2-methylbutane);1H-pyrazole;pyridine;thiophene;vanadium

C36H65N3OSV — CID 157496456

IUPACfuran;tetrakis(2-methylbutane);1H-pyrazole;pyridine;thiophene;vanadium
SMILESCCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.[V].c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1
InChIInChI=1S/C5H5N.4C5H12.C4H4O.C4H4S.C3H4N2.V/c1-2-4-6-5-3-1;4*1-4-5(2)3;3*1-2-4-5-3-1;/h1-5H;4*5H,4H2,1-3H3;2*1-4H;1-3H,(H,4,5);
InChIKeyBXWUPMDQCHKDAI-UHFFFAOYSA-N
MW638.95 g/mol
LogP12.73
Rot. Bonds4

About furan;tetrakis(2-methylbutane);1H-pyrazole;pyridine;thiophene;vanadium

furan;tetrakis(2-methylbutane);1H-pyrazole;pyridine;thiophene;vanadium (PubChem CID 157496456) has the molecular formula C36H65N3OSV and a molecular weight of 638.95 g/mol. Its IUPAC name is furan;tetrakis(2-methylbutane);1H-pyrazole;pyridine;thiophene;vanadium.

Molecular Properties

Compound Namefuran;tetrakis(2-methylbutane);1H-pyrazole;pyridine;thiophene;vanadium
PubChem CID157496456
Molecular FormulaC36H65N3OSV
Molecular Weight638.95 g/mol
Exact Mass638.43
IUPAC Namefuran;tetrakis(2-methylbutane);1H-pyrazole;pyridine;thiophene;vanadium
SMILESCCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.[V].c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1
InChIInChI=1S/C5H5N.4C5H12.C4H4O.C4H4S.C3H4N2.V/c1-2-4-6-5-3-1;4*1-4-5(2)3;3*1-2-4-5-3-1;/h1-5H;4*5H,4H2,1-3H3;2*1-4H;1-3H,(H,4,5);
InChIKeyBXWUPMDQCHKDAI-UHFFFAOYSA-N
XLogP12.73
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.95
LogP ≤ 512.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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furan;pentakis(2-methylbutane);1H-pyrazole;pyridine;1H-pyrrole;thiophene;triiodovanadium
CID 158555561
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CID 158582543
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CID 158609434
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CID 159309311
4-Tert-butyl-2-fluoropyridine;2-tert-butylfuran;4-tert-butyl-1-methylpyrazole;bis(2-tert-butylthiophene)
CID 159705349
furan;undecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene
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Frequently Asked Questions

What is the IUPAC name of furan;tetrakis(2-methylbutane);1H-pyrazole;pyridine;thiophene;vanadium?
The IUPAC name of furan;tetrakis(2-methylbutane);1H-pyrazole;pyridine;thiophene;vanadium (CID 157496456) is furan;tetrakis(2-methylbutane);1H-pyrazole;pyridine;thiophene;vanadium.
What is the SMILES notation for furan;tetrakis(2-methylbutane);1H-pyrazole;pyridine;thiophene;vanadium?
The canonical SMILES for furan;tetrakis(2-methylbutane);1H-pyrazole;pyridine;thiophene;vanadium is CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.[V].c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.
What is the InChIKey of furan;tetrakis(2-methylbutane);1H-pyrazole;pyridine;thiophene;vanadium?
The InChIKey is BXWUPMDQCHKDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.4C5H12.C4H4O.C4H4S.C3H4N2.V/c1-2-4-6-5-3-1;4*1-4-5(2)3;3*1-2-4-5-3-1;/h1-5H;4*5H,4H2,1-3H3;2*1-4H;1-3H,(H,4,5);.
What are the key properties of furan;tetrakis(2-methylbutane);1H-pyrazole;pyridine;thiophene;vanadium?
furan;tetrakis(2-methylbutane);1H-pyrazole;pyridine;thiophene;vanadium has a molecular weight of 638.95 g/mol, XLogP of 12.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan;tetrakis(2-methylbutane);1H-pyrazole;pyridine;thiophene;vanadium is sourced from PubChem (CID 157496456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).