(Z)-2-benzoyl-3-(1-benzylindol-3-yl)-3-phenylprop-2-enal

C31H23NO2 — CID 139040678

IUPAC(Z)-2-benzoyl-3-(1-benzylindol-3-yl)-3-phenylprop-2-enal
SMILESO=C/C(C(=O)c1ccccc1)=C(\c1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C31H23NO2/c33-22-28(31(34)25-16-8-3-9-17-25)30(24-14-6-2-7-15-24)27-21-32(20-23-12-4-1-5-13-23)29-19-11-10-18-26(27)29/h1-19,21-22H,20H2/b30-28-
InChIKeyFVKWMACSDPJATK-HYOGKJQXSA-N
MW441.53 g/mol
LogP6.57
Rot. Bonds7

About (Z)-2-benzoyl-3-(1-benzylindol-3-yl)-3-phenylprop-2-enal

(Z)-2-benzoyl-3-(1-benzylindol-3-yl)-3-phenylprop-2-enal (PubChem CID 139040678) has the molecular formula C31H23NO2 and a molecular weight of 441.53 g/mol. Its IUPAC name is (Z)-2-benzoyl-3-(1-benzylindol-3-yl)-3-phenylprop-2-enal.

Molecular Properties

Compound Name(Z)-2-benzoyl-3-(1-benzylindol-3-yl)-3-phenylprop-2-enal
PubChem CID139040678
Molecular FormulaC31H23NO2
Molecular Weight441.53 g/mol
Exact Mass441.17
IUPAC Name(Z)-2-benzoyl-3-(1-benzylindol-3-yl)-3-phenylprop-2-enal
SMILESO=C/C(C(=O)c1ccccc1)=C(\c1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C31H23NO2/c33-22-28(31(34)25-16-8-3-9-17-25)30(24-14-6-2-7-15-24)27-21-32(20-23-12-4-1-5-13-23)29-19-11-10-18-26(27)29/h1-19,21-22H,20H2/b30-28-
InChIKeyFVKWMACSDPJATK-HYOGKJQXSA-N
XLogP6.57
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (Z)-2-benzoyl-3-(1-benzylindol-3-yl)-3-phenylprop-2-enal 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

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Jwh-200
CID 10045570
Xlr 11
CID 57501498
Jwh 015
CID 4273754
Jwh 122
CID 44466638
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
AM 2201
CID 53393997
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
AM-694
CID 9889172
1-methoxy-1H-indole-3-carbaldehyde
CID 398554
Jwh 203
CID 44397500

Frequently Asked Questions

What is the IUPAC name of (Z)-2-benzoyl-3-(1-benzylindol-3-yl)-3-phenylprop-2-enal?
The IUPAC name of (Z)-2-benzoyl-3-(1-benzylindol-3-yl)-3-phenylprop-2-enal (CID 139040678) is (Z)-2-benzoyl-3-(1-benzylindol-3-yl)-3-phenylprop-2-enal.
What is the SMILES notation for (Z)-2-benzoyl-3-(1-benzylindol-3-yl)-3-phenylprop-2-enal?
The canonical SMILES for (Z)-2-benzoyl-3-(1-benzylindol-3-yl)-3-phenylprop-2-enal is O=C/C(C(=O)c1ccccc1)=C(\c1ccccc1)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of (Z)-2-benzoyl-3-(1-benzylindol-3-yl)-3-phenylprop-2-enal?
The InChIKey is FVKWMACSDPJATK-HYOGKJQXSA-N. The full InChI is InChI=1S/C31H23NO2/c33-22-28(31(34)25-16-8-3-9-17-25)30(24-14-6-2-7-15-24)27-21-32(20-23-12-4-1-5-13-23)29-19-11-10-18-26(27)29/h1-19,21-22H,20H2/b30-28-.
What are the key properties of (Z)-2-benzoyl-3-(1-benzylindol-3-yl)-3-phenylprop-2-enal?
(Z)-2-benzoyl-3-(1-benzylindol-3-yl)-3-phenylprop-2-enal has a molecular weight of 441.53 g/mol, XLogP of 6.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-benzoyl-3-(1-benzylindol-3-yl)-3-phenylprop-2-enal is sourced from PubChem (CID 139040678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).