[4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]anilino] thiohypofluorite

C23H19FN2S — CID 142077055

IUPAC[4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]anilino] thiohypofluorite
SMILES[H]/N=C(\C=C\c1ccccc1)c1cc(/C=C/c2ccccc2)ccc1NSF
InChIInChI=1S/C23H19FN2S/c24-27-26-23-16-14-20(12-11-18-7-3-1-4-8-18)17-21(23)22(25)15-13-19-9-5-2-6-10-19/h1-17,25-26H/b12-11+,15-13+,25-22+
InChIKeyRFCYWBVZSVNMSU-WAUXFUDWSA-N
MW374.48 g/mol
LogP6.88
Rot. Bonds7

About [4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]anilino] thiohypofluorite

[4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]anilino] thiohypofluorite (PubChem CID 142077055) has the molecular formula C23H19FN2S and a molecular weight of 374.48 g/mol. Its IUPAC name is [4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]anilino] thiohypofluorite.

Molecular Properties

Compound Name[4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]anilino] thiohypofluorite
PubChem CID142077055
Molecular FormulaC23H19FN2S
Molecular Weight374.48 g/mol
Exact Mass374.13
IUPAC Name[4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]anilino] thiohypofluorite
SMILES[H]/N=C(\C=C\c1ccccc1)c1cc(/C=C/c2ccccc2)ccc1NSF
InChIInChI=1S/C23H19FN2S/c24-27-26-23-16-14-20(12-11-18-7-3-1-4-8-18)17-21(23)22(25)15-13-19-9-5-2-6-10-19/h1-17,25-26H/b12-11+,15-13+,25-22+
InChIKeyRFCYWBVZSVNMSU-WAUXFUDWSA-N
XLogP6.88
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]aniline
CID 142077134
4-ethenyl-2-fluoro-6-[(E)-3-phenylprop-2-enimidoyl]aniline
CID 142836110
2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid
CID 18405742
2-acetamido-5-(2-phenylethenyl)benzoic acid
CID 70120363
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
N-[4-amino-2-fluoro-5-[(E)-3-naphthalen-2-ylprop-2-enimidoyl]phenyl]cyclopropanecarboxamide
CID 142836347
methyl 2-imino-4-phenylbut-3-enoate
CID 91293785
methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate
CID 155479645
methyl 2-amino-5-(2-phenylethenyl)benzoate
CID 70119663
2-fluoro-4-methyl-6-[(E)-3-pyridin-3-ylprop-2-enimidoyl]aniline
CID 142836156
(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene
CID 53441080
[4-[(3E,5Z,6E)-5-ethylidene-8-hydroxy-4-methylocta-1,3,6-trien-3-yl]-2-[2-(2-methylanilino)prop-2-enimidoyl]anilino] thiohypofluorite
CID 142077100

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]anilino] thiohypofluorite?
The IUPAC name of [4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]anilino] thiohypofluorite (CID 142077055) is [4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]anilino] thiohypofluorite.
What is the SMILES notation for [4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]anilino] thiohypofluorite?
The canonical SMILES for [4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]anilino] thiohypofluorite is [H]/N=C(\C=C\c1ccccc1)c1cc(/C=C/c2ccccc2)ccc1NSF.
What is the InChIKey of [4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]anilino] thiohypofluorite?
The InChIKey is RFCYWBVZSVNMSU-WAUXFUDWSA-N. The full InChI is InChI=1S/C23H19FN2S/c24-27-26-23-16-14-20(12-11-18-7-3-1-4-8-18)17-21(23)22(25)15-13-19-9-5-2-6-10-19/h1-17,25-26H/b12-11+,15-13+,25-22+.
What are the key properties of [4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]anilino] thiohypofluorite?
[4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]anilino] thiohypofluorite has a molecular weight of 374.48 g/mol, XLogP of 6.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]anilino] thiohypofluorite is sourced from PubChem (CID 142077055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).