carbon monoxide;[6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten

C28H22O6W — CID 11193005

IUPACcarbon monoxide;[6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten
SMILESCCCC/C(=C/c1cc(-c2ccccc2)oc(=[W])c1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C23H22O.5CO.W/c1-2-3-10-22(20-11-6-4-7-12-20)17-19-15-16-24-23(18-19)21-13-8-5-9-14-21;5*1-2;/h4-9,11-15,17-18H,2-3,10H2,1H3;;;;;;/b22-17-;;;;;;
InChIKeyZWLAJJAGOGSHDZ-RVNPSANOSA-N
MW638.32 g/mol
LogP6.57
Rot. Bonds6

About carbon monoxide;[6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten

carbon monoxide;[6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten (PubChem CID 11193005) has the molecular formula C28H22O6W and a molecular weight of 638.32 g/mol. Its IUPAC name is carbon monoxide;[6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten.

Molecular Properties

Compound Namecarbon monoxide;[6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten
PubChem CID11193005
Molecular FormulaC28H22O6W
Molecular Weight638.32 g/mol
Exact Mass638.09
IUPAC Namecarbon monoxide;[6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten
SMILESCCCC/C(=C/c1cc(-c2ccccc2)oc(=[W])c1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C23H22O.5CO.W/c1-2-3-10-22(20-11-6-4-7-12-20)17-19-15-16-24-23(18-19)21-13-8-5-9-14-21;5*1-2;/h4-9,11-15,17-18H,2-3,10H2,1H3;;;;;;/b22-17-;;;;;;
InChIKeyZWLAJJAGOGSHDZ-RVNPSANOSA-N
XLogP6.57
TPSA112.64 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.32
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten?
The IUPAC name of carbon monoxide;[6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten (CID 11193005) is carbon monoxide;[6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten.
What is the SMILES notation for carbon monoxide;[6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten?
The canonical SMILES for carbon monoxide;[6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten is CCCC/C(=C/c1cc(-c2ccccc2)oc(=[W])c1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten?
The InChIKey is ZWLAJJAGOGSHDZ-RVNPSANOSA-N. The full InChI is InChI=1S/C23H22O.5CO.W/c1-2-3-10-22(20-11-6-4-7-12-20)17-19-15-16-24-23(18-19)21-13-8-5-9-14-21;5*1-2;/h4-9,11-15,17-18H,2-3,10H2,1H3;;;;;;/b22-17-;;;;;;.
What are the key properties of carbon monoxide;[6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten?
carbon monoxide;[6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten has a molecular weight of 638.32 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten is sourced from PubChem (CID 11193005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).