[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]benzene;tungsten(2+)

C19H13W+ — CID 155768050

IUPAC[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]benzene;tungsten(2+)
SMILES[C-]1=CC=C[CH+]/C1=C(/c1[c-]cccc1)c1ccccc1.[W+2]
InChIInChI=1S/C19H13.W/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-12,14H;/q-1;+2/b19-17-;
InChIKeyRFSZPJVWIHYGOJ-HGMLFDQWSA-N
MW425.15 g/mol
LogP4.42
Rot. Bonds2

About [(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]benzene;tungsten(2+)

[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]benzene;tungsten(2+) (PubChem CID 155768050) has the molecular formula C19H13W+ and a molecular weight of 425.15 g/mol. Its IUPAC name is [(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]benzene;tungsten(2+).

Molecular Properties

Compound Name[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]benzene;tungsten(2+)
PubChem CID155768050
Molecular FormulaC19H13W+
Molecular Weight425.15 g/mol
Exact Mass425.05
IUPAC Name[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]benzene;tungsten(2+)
SMILES[C-]1=CC=C[CH+]/C1=C(/c1[c-]cccc1)c1ccccc1.[W+2]
InChIInChI=1S/C19H13.W/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-12,14H;/q-1;+2/b19-17-;
InChIKeyRFSZPJVWIHYGOJ-HGMLFDQWSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.15
LogP ≤ 54.42
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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Related Compounds

bis([cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]benzene);carbonate
CID 157175757
CID 134903201
CID 134903201
bis(cyclopentane);1,2-diphenylethenylbenzene;zirconium(4+)
CID 23229363
tris(N-hexyl-1-phenyl-1-phenylmethanimine);iridium(3+)
CID 59072505
sodium;acetic acid;2,6-dichloro-N-phenylaniline
CID 175727761
carbanide;N,1-diphenyl-1-phenylmethanimine;iridium;methanesulfonic acid
CID 162497302
1-phenylprop-1-en-2-ylbenzene;pentakis(vanadium);yttrium
CID 58787392
(1R,2S,6R,7S)-10-benzhydrylidene-4-(2-chlorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 1040305
dichlorotitanium;N-(2,6-dimethylphenyl)-1-phenylethanimine
CID 58765924
5-methylhex-1-en-2-ylbenzene;tungsten(2+)
CID 58767679
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
1,2-bis(2-chlorophenyl)ethane-1,2-dione;1-(2,3-dichlorophenyl)-2-phenylethane-1,2-dione
CID 69255292

Frequently Asked Questions

What is the IUPAC name of [(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]benzene;tungsten(2+)?
The IUPAC name of [(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]benzene;tungsten(2+) (CID 155768050) is [(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]benzene;tungsten(2+).
What is the SMILES notation for [(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]benzene;tungsten(2+)?
The canonical SMILES for [(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]benzene;tungsten(2+) is [C-]1=CC=C[CH+]/C1=C(/c1[c-]cccc1)c1ccccc1.[W+2].
What is the InChIKey of [(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]benzene;tungsten(2+)?
The InChIKey is RFSZPJVWIHYGOJ-HGMLFDQWSA-N. The full InChI is InChI=1S/C19H13.W/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-12,14H;/q-1;+2/b19-17-;.
What are the key properties of [(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]benzene;tungsten(2+)?
[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]benzene;tungsten(2+) has a molecular weight of 425.15 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]benzene;tungsten(2+) is sourced from PubChem (CID 155768050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).