ethene;[[4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethylidene]oxidanium

C27H22FOS2+ — CID 145376899

IUPACethene;[[4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethylidene]oxidanium
SMILESC=C.[H]/[O+]=C(\c1ccccc1)c1ccc(Sc2ccc(Sc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C25H17FOS2.C2H4/c26-20-8-12-22(13-9-20)29-24-16-14-23(15-17-24)28-21-10-6-19(7-11-21)25(27)18-4-2-1-3-5-18;1-2/h1-17H;1-2H2/p+1
InChIKeyYXTRGVLNAGAVFH-UHFFFAOYSA-O
MW445.60 g/mol
LogP7.87
Rot. Bonds6

About ethene;[[4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethylidene]oxidanium

ethene;[[4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethylidene]oxidanium (PubChem CID 145376899) has the molecular formula C27H22FOS2+ and a molecular weight of 445.60 g/mol. Its IUPAC name is ethene;[[4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethylidene]oxidanium.

Molecular Properties

Compound Nameethene;[[4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethylidene]oxidanium
PubChem CID145376899
Molecular FormulaC27H22FOS2+
Molecular Weight445.60 g/mol
Exact Mass445.11
IUPAC Nameethene;[[4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethylidene]oxidanium
SMILESC=C.[H]/[O+]=C(\c1ccccc1)c1ccc(Sc2ccc(Sc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C25H17FOS2.C2H4/c26-20-8-12-22(13-9-20)29-24-16-14-23(15-17-24)28-21-10-6-19(7-11-21)25(27)18-4-2-1-3-5-18;1-2/h1-17H;1-2H2/p+1
InChIKeyYXTRGVLNAGAVFH-UHFFFAOYSA-O
XLogP7.87
TPSA21.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.60
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(4-chlorophenyl)-[4-[4-(4-phenylsulfanylphenyl)phenyl]sulfanylphenyl]methylidene]oxidanium hexafluorophosphate
CID 139748093
1-fluoro-4-[(E)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene
CID 101499460
1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
CID 71376552
[3-chloro-4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethanone
CID 71231895
1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone
CID 10634160
[[3-chloro-4-[4-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]phenyl]sulfanylphenyl]-phenylmethylidene]oxidanium tetrafluoroborate
CID 142710056
[2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone
CID 157369619
1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene
CID 72543273
(4-fluorophenyl)-phenylmethanone
CID 161464622
CID 150789549
CID 150789549
[4-[4-(4-fluorobenzoyl)oxyphenyl]sulfanylphenyl] 4-fluorobenzoate
CID 2060863
2-(4-fluorophenyl)sulfanylbenzoic acid
CID 14418768

Frequently Asked Questions

What is the IUPAC name of ethene;[[4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethylidene]oxidanium?
The IUPAC name of ethene;[[4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethylidene]oxidanium (CID 145376899) is ethene;[[4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethylidene]oxidanium.
What is the SMILES notation for ethene;[[4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethylidene]oxidanium?
The canonical SMILES for ethene;[[4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethylidene]oxidanium is C=C.[H]/[O+]=C(\c1ccccc1)c1ccc(Sc2ccc(Sc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of ethene;[[4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethylidene]oxidanium?
The InChIKey is YXTRGVLNAGAVFH-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H17FOS2.C2H4/c26-20-8-12-22(13-9-20)29-24-16-14-23(15-17-24)28-21-10-6-19(7-11-21)25(27)18-4-2-1-3-5-18;1-2/h1-17H;1-2H2/p+1.
What are the key properties of ethene;[[4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethylidene]oxidanium?
ethene;[[4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethylidene]oxidanium has a molecular weight of 445.60 g/mol, XLogP of 7.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;[[4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethylidene]oxidanium is sourced from PubChem (CID 145376899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).