furan;pentakis(2-methylbutane);1H-pyrazole;pyridine;1H-pyrrole;thiophene;triiodovanadium

C45H82I3N4OSV — CID 158555561

IUPACfuran;pentakis(2-methylbutane);1H-pyrazole;pyridine;1H-pyrrole;thiophene;triiodovanadium
SMILESCCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.I[V](I)I.c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1
InChIInChI=1S/C5H5N.5C5H12.C4H5N.C4H4O.C4H4S.C3H4N2.3HI.V/c1-2-4-6-5-3-1;5*1-4-5(2)3;4*1-2-4-5-3-1;;;;/h1-5H;5*5H,4H2,1-3H3;1-5H;2*1-4H;1-3H,(H,4,5);3*1H;/q;;;;;;;;;;;;;+3/p-3
InChIKeyHQGDLMIEEROLBW-UHFFFAOYSA-K
MW1158.90 g/mol
LogP18.45
Rot. Bonds5

About furan;pentakis(2-methylbutane);1H-pyrazole;pyridine;1H-pyrrole;thiophene;triiodovanadium

furan;pentakis(2-methylbutane);1H-pyrazole;pyridine;1H-pyrrole;thiophene;triiodovanadium (PubChem CID 158555561) has the molecular formula C45H82I3N4OSV and a molecular weight of 1158.90 g/mol. Its IUPAC name is furan;pentakis(2-methylbutane);1H-pyrazole;pyridine;1H-pyrrole;thiophene;triiodovanadium.

Molecular Properties

Compound Namefuran;pentakis(2-methylbutane);1H-pyrazole;pyridine;1H-pyrrole;thiophene;triiodovanadium
PubChem CID158555561
Molecular FormulaC45H82I3N4OSV
Molecular Weight1158.90 g/mol
Exact Mass1158.28
IUPAC Namefuran;pentakis(2-methylbutane);1H-pyrazole;pyridine;1H-pyrrole;thiophene;triiodovanadium
SMILESCCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.I[V](I)I.c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1
InChIInChI=1S/C5H5N.5C5H12.C4H5N.C4H4O.C4H4S.C3H4N2.3HI.V/c1-2-4-6-5-3-1;5*1-4-5(2)3;4*1-2-4-5-3-1;;;;/h1-5H;5*5H,4H2,1-3H3;1-5H;2*1-4H;1-3H,(H,4,5);3*1H;/q;;;;;;;;;;;;;+3/p-3
InChIKeyHQGDLMIEEROLBW-UHFFFAOYSA-K
XLogP18.45
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001158.90
LogP ≤ 518.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of furan;pentakis(2-methylbutane);1H-pyrazole;pyridine;1H-pyrrole;thiophene;triiodovanadium?
The IUPAC name of furan;pentakis(2-methylbutane);1H-pyrazole;pyridine;1H-pyrrole;thiophene;triiodovanadium (CID 158555561) is furan;pentakis(2-methylbutane);1H-pyrazole;pyridine;1H-pyrrole;thiophene;triiodovanadium.
What is the SMILES notation for furan;pentakis(2-methylbutane);1H-pyrazole;pyridine;1H-pyrrole;thiophene;triiodovanadium?
The canonical SMILES for furan;pentakis(2-methylbutane);1H-pyrazole;pyridine;1H-pyrrole;thiophene;triiodovanadium is CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.I[V](I)I.c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.
What is the InChIKey of furan;pentakis(2-methylbutane);1H-pyrazole;pyridine;1H-pyrrole;thiophene;triiodovanadium?
The InChIKey is HQGDLMIEEROLBW-UHFFFAOYSA-K. The full InChI is InChI=1S/C5H5N.5C5H12.C4H5N.C4H4O.C4H4S.C3H4N2.3HI.V/c1-2-4-6-5-3-1;5*1-4-5(2)3;4*1-2-4-5-3-1;;;;/h1-5H;5*5H,4H2,1-3H3;1-5H;2*1-4H;1-3H,(H,4,5);3*1H;/q;;;;;;;;;;;;;+3/p-3.
What are the key properties of furan;pentakis(2-methylbutane);1H-pyrazole;pyridine;1H-pyrrole;thiophene;triiodovanadium?
furan;pentakis(2-methylbutane);1H-pyrazole;pyridine;1H-pyrrole;thiophene;triiodovanadium has a molecular weight of 1158.90 g/mol, XLogP of 18.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan;pentakis(2-methylbutane);1H-pyrazole;pyridine;1H-pyrrole;thiophene;triiodovanadium is sourced from PubChem (CID 158555561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).