[3-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]phenyl]boronic acid;ethane

C20H24BNO2 — CID 143305921

IUPAC[3-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]phenyl]boronic acid;ethane
SMILESC/C=c1\c(=C/C)n(-c2cccc(B(O)O)c2)c2ccccc12.CC
InChIInChI=1S/C18H18BNO2.C2H6/c1-3-15-16-10-5-6-11-18(16)20(17(15)4-2)14-9-7-8-13(12-14)19(21)22;1-2/h3-12,21-22H,1-2H3;1-2H3/b15-3-,17-4+;
InChIKeyICDLEYNGWGZUAT-BQVCJOJRSA-N
MW321.23 g/mol
LogP1.94
Rot. Bonds2

About [3-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]phenyl]boronic acid;ethane

[3-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]phenyl]boronic acid;ethane (PubChem CID 143305921) has the molecular formula C20H24BNO2 and a molecular weight of 321.23 g/mol. Its IUPAC name is [3-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]phenyl]boronic acid;ethane.

Molecular Properties

Compound Name[3-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]phenyl]boronic acid;ethane
PubChem CID143305921
Molecular FormulaC20H24BNO2
Molecular Weight321.23 g/mol
Exact Mass321.19
IUPAC Name[3-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]phenyl]boronic acid;ethane
SMILESC/C=c1\c(=C/C)n(-c2cccc(B(O)O)c2)c2ccccc12.CC
InChIInChI=1S/C18H18BNO2.C2H6/c1-3-15-16-10-5-6-11-18(16)20(17(15)4-2)14-9-7-8-13(12-14)19(21)22;1-2/h3-12,21-22H,1-2H3;1-2H3/b15-3-,17-4+;
InChIKeyICDLEYNGWGZUAT-BQVCJOJRSA-N
XLogP1.94
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.23
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]phenyl]boronic acid;ethane 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

(2E,3Z)-2,3-di(ethylidene)-1-phenylindole;ethane;9-methylcarbazole
CID 142288602
3-[(2E,3Z)-2,3-di(ethylidene)-1-(3-phenylphenyl)indol-5-yl]-9-(3-phenylphenyl)carbazole;ethane
CID 142521163
3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-triphenylen-2-ylcarbazole
CID 164569185
3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-6-phenyl-9-(4-phenylphenyl)carbazole;ethane
CID 142521150
3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-(4-phenylphenyl)carbazole
CID 142521068
[9-(3-phenylphenyl)carbazol-2-yl]boronic acid
CID 135743560
6-[3-[3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]carbazol-9-yl]-5-(2,3,4,5,6-pentahydroxyphenyl)phenyl]benzene-1,2,3,4,5-pentol
CID 153344471
[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]boronic acid
CID 123843821
(3-carbazol-9-ylphenyl)boronic acid;1,3-dibromo-2-iodobenzene;9-[3-(2,6-dibromophenyl)phenyl]carbazole
CID 160993928
[6-carbazol-9-yl-9-(4-methoxyphenyl)carbazol-3-yl]boronic acid
CID 140873138
(8-carbazol-9-yldibenzofuran-2-yl)boronic acid
CID 89433899
buta-1,3-diene;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid
CID 145148607

Frequently Asked Questions

What is the IUPAC name of [3-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]phenyl]boronic acid;ethane?
The IUPAC name of [3-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]phenyl]boronic acid;ethane (CID 143305921) is [3-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]phenyl]boronic acid;ethane.
What is the SMILES notation for [3-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]phenyl]boronic acid;ethane?
The canonical SMILES for [3-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]phenyl]boronic acid;ethane is C/C=c1\c(=C/C)n(-c2cccc(B(O)O)c2)c2ccccc12.CC.
What is the InChIKey of [3-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]phenyl]boronic acid;ethane?
The InChIKey is ICDLEYNGWGZUAT-BQVCJOJRSA-N. The full InChI is InChI=1S/C18H18BNO2.C2H6/c1-3-15-16-10-5-6-11-18(16)20(17(15)4-2)14-9-7-8-13(12-14)19(21)22;1-2/h3-12,21-22H,1-2H3;1-2H3/b15-3-,17-4+;.
What are the key properties of [3-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]phenyl]boronic acid;ethane?
[3-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]phenyl]boronic acid;ethane has a molecular weight of 321.23 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]phenyl]boronic acid;ethane is sourced from PubChem (CID 143305921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).