benzene;[cyclopenta-2,4-dien-1-yl(phenyl)methyl]benzene;tungsten

C24H20W-2 — CID 11984790

IUPACbenzene;[cyclopenta-2,4-dien-1-yl(phenyl)methyl]benzene;tungsten
SMILES[W].c1ccc([C-](c2ccccc2)[c-]2cccc2)cc1.c1ccccc1
InChIInChI=1S/C18H14.C6H6.W/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-2-4-6-5-3-1;/h1-14H;1-6H;/q-2;;
InChIKeyYKHVQDQUKJCBFE-UHFFFAOYSA-N
MW492.26 g/mol
LogP6.11
Rot. Bonds3

About benzene;[cyclopenta-2,4-dien-1-yl(phenyl)methyl]benzene;tungsten

benzene;[cyclopenta-2,4-dien-1-yl(phenyl)methyl]benzene;tungsten (PubChem CID 11984790) has the molecular formula C24H20W-2 and a molecular weight of 492.26 g/mol. Its IUPAC name is benzene;[cyclopenta-2,4-dien-1-yl(phenyl)methyl]benzene;tungsten.

Molecular Properties

Compound Namebenzene;[cyclopenta-2,4-dien-1-yl(phenyl)methyl]benzene;tungsten
PubChem CID11984790
Molecular FormulaC24H20W-2
Molecular Weight492.26 g/mol
Exact Mass492.11
IUPAC Namebenzene;[cyclopenta-2,4-dien-1-yl(phenyl)methyl]benzene;tungsten
SMILES[W].c1ccc([C-](c2ccccc2)[c-]2cccc2)cc1.c1ccccc1
InChIInChI=1S/C18H14.C6H6.W/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-2-4-6-5-3-1;/h1-14H;1-6H;/q-2;;
InChIKeyYKHVQDQUKJCBFE-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.26
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;[cyclopenta-2,4-dien-1-yl(phenyl)methyl]benzene;tungsten?
The IUPAC name of benzene;[cyclopenta-2,4-dien-1-yl(phenyl)methyl]benzene;tungsten (CID 11984790) is benzene;[cyclopenta-2,4-dien-1-yl(phenyl)methyl]benzene;tungsten.
What is the SMILES notation for benzene;[cyclopenta-2,4-dien-1-yl(phenyl)methyl]benzene;tungsten?
The canonical SMILES for benzene;[cyclopenta-2,4-dien-1-yl(phenyl)methyl]benzene;tungsten is [W].c1ccc([C-](c2ccccc2)[c-]2cccc2)cc1.c1ccccc1.
What is the InChIKey of benzene;[cyclopenta-2,4-dien-1-yl(phenyl)methyl]benzene;tungsten?
The InChIKey is YKHVQDQUKJCBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14.C6H6.W/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-2-4-6-5-3-1;/h1-14H;1-6H;/q-2;;.
What are the key properties of benzene;[cyclopenta-2,4-dien-1-yl(phenyl)methyl]benzene;tungsten?
benzene;[cyclopenta-2,4-dien-1-yl(phenyl)methyl]benzene;tungsten has a molecular weight of 492.26 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;[cyclopenta-2,4-dien-1-yl(phenyl)methyl]benzene;tungsten is sourced from PubChem (CID 11984790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).