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

C23H22OW — CID 11193006

IUPAC[6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten
SMILESCCCC/C(=C/c1cc(-c2ccccc2)oc(=[W])c1)c1ccccc1
InChIInChI=1S/C23H22O.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;/h4-9,11-15,17-18H,2-3,10H2,1H3;/b22-17-;
InChIKeyRHNMBJXVQXWFJW-JJECXDOKSA-N
MW498.27 g/mol
LogP6.76
Rot. Bonds6

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

[6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten (PubChem CID 11193006) has the molecular formula C23H22OW and a molecular weight of 498.27 g/mol. Its IUPAC name is [6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten.

Molecular Properties

Compound Name[6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten
PubChem CID11193006
Molecular FormulaC23H22OW
Molecular Weight498.27 g/mol
Exact Mass498.12
IUPAC Name[6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten
SMILESCCCC/C(=C/c1cc(-c2ccccc2)oc(=[W])c1)c1ccccc1
InChIInChI=1S/C23H22O.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;/h4-9,11-15,17-18H,2-3,10H2,1H3;/b22-17-;
InChIKeyRHNMBJXVQXWFJW-JJECXDOKSA-N
XLogP6.76
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.27
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

carbon monoxide;[6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten
CID 11193005
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[(E)-hept-2-en-3-yl]benzene
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[(Z)-non-3-en-4-yl]benzene
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CID 10437633
N-[4-[butyl(6,7-diphenylhept-6-enyl)phosphanyl]butyl]-N-phenylaniline;hydrobromide
CID 173248698
[(Z)-1-methylsulfanylhept-1-en-2-yl]benzene
CID 11672996
1-bromo-4-[(1Z,6Z)-7-(4-bromophenyl)-2,6-diphenylhepta-1,6-dienyl]benzene
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1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene
CID 173389416
3-methyl-2-pentyl-5-phenylfuran
CID 10823258

Frequently Asked Questions

What is the IUPAC name of [6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten?
The IUPAC name of [6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten (CID 11193006) is [6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten.
What is the SMILES notation for [6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten?
The canonical SMILES for [6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten is CCCC/C(=C/c1cc(-c2ccccc2)oc(=[W])c1)c1ccccc1.
What is the InChIKey of [6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten?
The InChIKey is RHNMBJXVQXWFJW-JJECXDOKSA-N. The full InChI is InChI=1S/C23H22O.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;/h4-9,11-15,17-18H,2-3,10H2,1H3;/b22-17-;.
What are the key properties of [6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten?
[6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten has a molecular weight of 498.27 g/mol, XLogP of 6.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-phenyl-4-[(Z)-2-phenylhex-1-enyl]pyran-2-ylidene]tungsten is sourced from PubChem (CID 11193006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).