furan;1,2,3,4-tetrahydrochrysene;zirconium(4+);tetrachloride

C22H20Cl4OZr — CID 174556475

IUPACfuran;1,2,3,4-tetrahydrochrysene;zirconium(4+);tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4].c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1ccoc1
InChIInChI=1S/C18H16.C4H4O.4ClH.Zr/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-5-3-1;;;;;/h1,3,5,7,9-12H,2,4,6,8H2;1-4H;4*1H;/q;;;;;;+4/p-4
InChIKeyYFQDXHJIBAVFPK-UHFFFAOYSA-J
MW533.44 g/mol
LogP-5.84
Rot. Bonds

About furan;1,2,3,4-tetrahydrochrysene;zirconium(4+);tetrachloride

furan;1,2,3,4-tetrahydrochrysene;zirconium(4+);tetrachloride (PubChem CID 174556475) has the molecular formula C22H20Cl4OZr and a molecular weight of 533.44 g/mol. Its IUPAC name is furan;1,2,3,4-tetrahydrochrysene;zirconium(4+);tetrachloride.

Molecular Properties

Compound Namefuran;1,2,3,4-tetrahydrochrysene;zirconium(4+);tetrachloride
PubChem CID174556475
Molecular FormulaC22H20Cl4OZr
Molecular Weight533.44 g/mol
Exact Mass529.93
IUPAC Namefuran;1,2,3,4-tetrahydrochrysene;zirconium(4+);tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4].c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1ccoc1
InChIInChI=1S/C18H16.C4H4O.4ClH.Zr/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-5-3-1;;;;;/h1,3,5,7,9-12H,2,4,6,8H2;1-4H;4*1H;/q;;;;;;+4/p-4
InChIKeyYFQDXHJIBAVFPK-UHFFFAOYSA-J
XLogP-5.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.44
LogP ≤ 5-5.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of furan;1,2,3,4-tetrahydrochrysene;zirconium(4+);tetrachloride?
The IUPAC name of furan;1,2,3,4-tetrahydrochrysene;zirconium(4+);tetrachloride (CID 174556475) is furan;1,2,3,4-tetrahydrochrysene;zirconium(4+);tetrachloride.
What is the SMILES notation for furan;1,2,3,4-tetrahydrochrysene;zirconium(4+);tetrachloride?
The canonical SMILES for furan;1,2,3,4-tetrahydrochrysene;zirconium(4+);tetrachloride is [Cl-].[Cl-].[Cl-].[Cl-].[Zr+4].c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1ccoc1.
What is the InChIKey of furan;1,2,3,4-tetrahydrochrysene;zirconium(4+);tetrachloride?
The InChIKey is YFQDXHJIBAVFPK-UHFFFAOYSA-J. The full InChI is InChI=1S/C18H16.C4H4O.4ClH.Zr/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-5-3-1;;;;;/h1,3,5,7,9-12H,2,4,6,8H2;1-4H;4*1H;/q;;;;;;+4/p-4.
What are the key properties of furan;1,2,3,4-tetrahydrochrysene;zirconium(4+);tetrachloride?
furan;1,2,3,4-tetrahydrochrysene;zirconium(4+);tetrachloride has a molecular weight of 533.44 g/mol, XLogP of -5.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for furan;1,2,3,4-tetrahydrochrysene;zirconium(4+);tetrachloride is sourced from PubChem (CID 174556475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).