(3'E)-3'-[(Z)-but-2-enylidene]-6'-iodo-2'-methylidenespiro[fluorene-9,1'-indene]

C26H19I — CID 89138231

IUPAC(3'E)-3'-[(Z)-but-2-enylidene]-6'-iodo-2'-methylidenespiro[fluorene-9,1'-indene]
SMILESC=C1/C(=C\C=C/C)c2ccc(I)cc2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C26H19I/c1-3-4-9-19-17(2)26(25-16-18(27)14-15-22(19)25)23-12-7-5-10-20(23)21-11-6-8-13-24(21)26/h3-16H,2H2,1H3/b4-3-,19-9+
InChIKeyRWTYAVGDUHSNRK-IJYIPRFUSA-N
MW458.34 g/mol
LogP7.14
Rot. Bonds1

About (3'E)-3'-[(Z)-but-2-enylidene]-6'-iodo-2'-methylidenespiro[fluorene-9,1'-indene]

(3'E)-3'-[(Z)-but-2-enylidene]-6'-iodo-2'-methylidenespiro[fluorene-9,1'-indene] (PubChem CID 89138231) has the molecular formula C26H19I and a molecular weight of 458.34 g/mol. Its IUPAC name is (3'E)-3'-[(Z)-but-2-enylidene]-6'-iodo-2'-methylidenespiro[fluorene-9,1'-indene].

Molecular Properties

Compound Name(3'E)-3'-[(Z)-but-2-enylidene]-6'-iodo-2'-methylidenespiro[fluorene-9,1'-indene]
PubChem CID89138231
Molecular FormulaC26H19I
Molecular Weight458.34 g/mol
Exact Mass458.05
IUPAC Name(3'E)-3'-[(Z)-but-2-enylidene]-6'-iodo-2'-methylidenespiro[fluorene-9,1'-indene]
SMILESC=C1/C(=C\C=C/C)c2ccc(I)cc2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C26H19I/c1-3-4-9-19-17(2)26(25-16-18(27)14-15-22(19)25)23-12-7-5-10-20(23)21-11-6-8-13-24(21)26/h3-16H,2H2,1H3/b4-3-,19-9+
InChIKeyRWTYAVGDUHSNRK-IJYIPRFUSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.34
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3'E)-3'-[(Z)-but-2-enylidene]-6'-iodo-2'-methylidenespiro[fluorene-9,1'-indene] 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

3'-[(1Z)-buta-1,3-dienyl]-2-iodo-2'-methylspiro[fluorene-9,1'-indene]
CID 89150368
(3'E)-3'-ethylidene-2,2',3-trimethylidene-1,1'-spirobi[indene]
CID 145077433
ethane;methane;(3E)-2-methylidene-1,1-diphenyl-3-prop-2-enylideneindene
CID 144920231
N-[3-[(3E)-3-[(Z)-but-2-enylidene]-2-methylidene-1-phenylinden-1-yl]phenyl]dibenzofuran-4-amine
CID 167309836
2-iodo-9,9-di(propan-2-yl)fluorene
CID 23072844
(3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene]
CID 144810497
2-(3-iodophenyl)-9,9'-spirobi[fluorene]
CID 59668504
tetrakis(9,9'-spirobi[fluorene]-2-yl)silane
CID 21032480
CID 174080065
CID 174080065
N-[(E,3E)-3-(3,3-dimethyl-2-methylideneinden-1-ylidene)prop-1-enyl]-9,9-dimethylfluoren-2-amine
CID 130353860
2'-methyl-1'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-2,5'-diamine
CID 163887285
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057

Frequently Asked Questions

What is the IUPAC name of (3'E)-3'-[(Z)-but-2-enylidene]-6'-iodo-2'-methylidenespiro[fluorene-9,1'-indene]?
The IUPAC name of (3'E)-3'-[(Z)-but-2-enylidene]-6'-iodo-2'-methylidenespiro[fluorene-9,1'-indene] (CID 89138231) is (3'E)-3'-[(Z)-but-2-enylidene]-6'-iodo-2'-methylidenespiro[fluorene-9,1'-indene].
What is the SMILES notation for (3'E)-3'-[(Z)-but-2-enylidene]-6'-iodo-2'-methylidenespiro[fluorene-9,1'-indene]?
The canonical SMILES for (3'E)-3'-[(Z)-but-2-enylidene]-6'-iodo-2'-methylidenespiro[fluorene-9,1'-indene] is C=C1/C(=C\C=C/C)c2ccc(I)cc2C12c1ccccc1-c1ccccc12.
What is the InChIKey of (3'E)-3'-[(Z)-but-2-enylidene]-6'-iodo-2'-methylidenespiro[fluorene-9,1'-indene]?
The InChIKey is RWTYAVGDUHSNRK-IJYIPRFUSA-N. The full InChI is InChI=1S/C26H19I/c1-3-4-9-19-17(2)26(25-16-18(27)14-15-22(19)25)23-12-7-5-10-20(23)21-11-6-8-13-24(21)26/h3-16H,2H2,1H3/b4-3-,19-9+.
What are the key properties of (3'E)-3'-[(Z)-but-2-enylidene]-6'-iodo-2'-methylidenespiro[fluorene-9,1'-indene]?
(3'E)-3'-[(Z)-but-2-enylidene]-6'-iodo-2'-methylidenespiro[fluorene-9,1'-indene] has a molecular weight of 458.34 g/mol, XLogP of 7.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3'E)-3'-[(Z)-but-2-enylidene]-6'-iodo-2'-methylidenespiro[fluorene-9,1'-indene] is sourced from PubChem (CID 89138231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).