(2E)-3-methylidene-2-[(E)-3-(3-methylphenyl)but-2-enylidene]-1-phenylindole

C26H23N — CID 155027298

IUPAC(2E)-3-methylidene-2-[(E)-3-(3-methylphenyl)but-2-enylidene]-1-phenylindole
SMILESC=c1/c(=C\C=C(/C)c2cccc(C)c2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C26H23N/c1-19-10-9-11-22(18-19)20(2)16-17-25-21(3)24-14-7-8-15-26(24)27(25)23-12-5-4-6-13-23/h4-18H,3H2,1-2H3/b20-16+,25-17+
InChIKeySRLNKNMMFJFVIX-QJQTWEGFSA-N
MW349.48 g/mol
LogP5.23
Rot. Bonds3

About (2E)-3-methylidene-2-[(E)-3-(3-methylphenyl)but-2-enylidene]-1-phenylindole

(2E)-3-methylidene-2-[(E)-3-(3-methylphenyl)but-2-enylidene]-1-phenylindole (PubChem CID 155027298) has the molecular formula C26H23N and a molecular weight of 349.48 g/mol. Its IUPAC name is (2E)-3-methylidene-2-[(E)-3-(3-methylphenyl)but-2-enylidene]-1-phenylindole.

Molecular Properties

Compound Name(2E)-3-methylidene-2-[(E)-3-(3-methylphenyl)but-2-enylidene]-1-phenylindole
PubChem CID155027298
Molecular FormulaC26H23N
Molecular Weight349.48 g/mol
Exact Mass349.18
IUPAC Name(2E)-3-methylidene-2-[(E)-3-(3-methylphenyl)but-2-enylidene]-1-phenylindole
SMILESC=c1/c(=C\C=C(/C)c2cccc(C)c2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C26H23N/c1-19-10-9-11-22(18-19)20(2)16-17-25-21(3)24-14-7-8-15-26(24)27(25)23-12-5-4-6-13-23/h4-18H,3H2,1-2H3/b20-16+,25-17+
InChIKeySRLNKNMMFJFVIX-QJQTWEGFSA-N
XLogP5.23
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2E)-3-methylidene-2-[(E)-3-(3-methylphenyl)but-2-enylidene]-1-phenylindole 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

N-[4-[4-(3-methylidene-1-phenylindol-2-ylidene)but-2-en-2-yl]phenyl]-N,4-diphenylaniline
CID 123438104
9-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]carbazole
CID 146541574
9-[3-(4-methylphenyl)phenyl]carbazole;3-[(2E)-penta-2,4-dien-2-yl]-6,9-diphenylcarbazole
CID 144875939
ethane;9-(3-methylphenyl)carbazole
CID 143904684
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methylbenzene
CID 144614212
3-methyl-2-[(E)-(3-methylidene-1-phenylindol-2-ylidene)methyl]-1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indole
CID 167052753
2-methyl-9-phenylcarbazole
CID 59552741
3-penta-2,4-dien-2-yl-6,9-diphenylcarbazole
CID 123470872
2-methyl-1-(3-methylphenyl)-3-(2-methylprop-1-enyl)indole
CID 146532616
(3Z)-3-[(2E)-3-(3-fluorophenyl)penta-2,4-dienylidene]-2-methylidene-1-phenylindole
CID 134271752
9-[3-[4-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole
CID 167027233
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303

Frequently Asked Questions

What is the IUPAC name of (2E)-3-methylidene-2-[(E)-3-(3-methylphenyl)but-2-enylidene]-1-phenylindole?
The IUPAC name of (2E)-3-methylidene-2-[(E)-3-(3-methylphenyl)but-2-enylidene]-1-phenylindole (CID 155027298) is (2E)-3-methylidene-2-[(E)-3-(3-methylphenyl)but-2-enylidene]-1-phenylindole.
What is the SMILES notation for (2E)-3-methylidene-2-[(E)-3-(3-methylphenyl)but-2-enylidene]-1-phenylindole?
The canonical SMILES for (2E)-3-methylidene-2-[(E)-3-(3-methylphenyl)but-2-enylidene]-1-phenylindole is C=c1/c(=C\C=C(/C)c2cccc(C)c2)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of (2E)-3-methylidene-2-[(E)-3-(3-methylphenyl)but-2-enylidene]-1-phenylindole?
The InChIKey is SRLNKNMMFJFVIX-QJQTWEGFSA-N. The full InChI is InChI=1S/C26H23N/c1-19-10-9-11-22(18-19)20(2)16-17-25-21(3)24-14-7-8-15-26(24)27(25)23-12-5-4-6-13-23/h4-18H,3H2,1-2H3/b20-16+,25-17+.
What are the key properties of (2E)-3-methylidene-2-[(E)-3-(3-methylphenyl)but-2-enylidene]-1-phenylindole?
(2E)-3-methylidene-2-[(E)-3-(3-methylphenyl)but-2-enylidene]-1-phenylindole has a molecular weight of 349.48 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-methylidene-2-[(E)-3-(3-methylphenyl)but-2-enylidene]-1-phenylindole is sourced from PubChem (CID 155027298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).