(E)-4,4,4-triphenylbut-2-enethial

C22H18S — CID 139757638

IUPAC(E)-4,4,4-triphenylbut-2-enethial
SMILESS=C/C=C/C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18S/c23-18-10-17-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18H/b17-10+
InChIKeyDDGBIHXNISPYBL-LICLKQGHSA-N
MW314.45 g/mol
LogP5.58
Rot. Bonds5

About (E)-4,4,4-triphenylbut-2-enethial

(E)-4,4,4-triphenylbut-2-enethial (PubChem CID 139757638) has the molecular formula C22H18S and a molecular weight of 314.45 g/mol. Its IUPAC name is (E)-4,4,4-triphenylbut-2-enethial.

Molecular Properties

Compound Name(E)-4,4,4-triphenylbut-2-enethial
PubChem CID139757638
Molecular FormulaC22H18S
Molecular Weight314.45 g/mol
Exact Mass314.11
IUPAC Name(E)-4,4,4-triphenylbut-2-enethial
SMILESS=C/C=C/C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18S/c23-18-10-17-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18H/b17-10+
InChIKeyDDGBIHXNISPYBL-LICLKQGHSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.45
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (E)-4,4,4-triphenylbut-2-enethial with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 135081440
CID 135081440
(bromo-isocyanato-phenylmethyl)benzene
CID 134915009
(2S)-2-methanethioyl-3,3,3-triphenylpropanoic acid
CID 20610846
lithium;[diisocyanato(phenyl)methyl]benzene;hydride
CID 173310632
(1-isocyanato-1,2,2-triphenylethyl)benzene
CID 140972079
1,1-dichloroprop-2-enylbenzene
CID 23350286
(3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene
CID 166095951
2-phenyl-2,2-bis(sulfanyl)acetaldehyde
CID 90879722
3,3,4,4-tetraphenylbut-1-ene-1,4-diamine
CID 150520725
bis(1,1-diphenylprop-2-enyl)phosphane
CID 67252408
[(E)-2-phenylpent-3-en-2-yl]benzene
CID 14338227
[(Z)-2-methylpent-3-en-2-yl]benzene
CID 154027835

Frequently Asked Questions

What is the IUPAC name of (E)-4,4,4-triphenylbut-2-enethial?
The IUPAC name of (E)-4,4,4-triphenylbut-2-enethial (CID 139757638) is (E)-4,4,4-triphenylbut-2-enethial.
What is the SMILES notation for (E)-4,4,4-triphenylbut-2-enethial?
The canonical SMILES for (E)-4,4,4-triphenylbut-2-enethial is S=C/C=C/C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-4,4,4-triphenylbut-2-enethial?
The InChIKey is DDGBIHXNISPYBL-LICLKQGHSA-N. The full InChI is InChI=1S/C22H18S/c23-18-10-17-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18H/b17-10+.
What are the key properties of (E)-4,4,4-triphenylbut-2-enethial?
(E)-4,4,4-triphenylbut-2-enethial has a molecular weight of 314.45 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,4-triphenylbut-2-enethial is sourced from PubChem (CID 139757638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).