1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3'-tris(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4',5'-bis[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene]

C37H35F — CID 134228994

IUPAC1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3'-tris(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4',5'-bis[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene]
SMILESC=C/C=C\C1=C(C=C)C(C=C)=C(/C=C\C=C)C12C(/C=C(/F)C=C)=C(C=C)c1c2ccc(/C=C\C)c1/C=C\C
InChIInChI=1S/C37H35F/c1-9-17-21-32-28(14-6)29(15-7)33(22-18-10-2)37(32)34-24-23-26(19-11-3)31(20-12-4)36(34)30(16-8)35(37)25-27(38)13-5/h9-25H,1-2,5-8H2,3-4H3/b19-11-,20-12-,21-17-,22-18-,27-25+
InChIKeyAFGIRUSDOXBQGB-VIUHLWMQSA-N
MW498.69 g/mol
LogP10.45
Rot. Bonds11

About 1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3'-tris(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4',5'-bis[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene]

1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3'-tris(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4',5'-bis[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene] (PubChem CID 134228994) has the molecular formula C37H35F and a molecular weight of 498.69 g/mol. Its IUPAC name is 1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3'-tris(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4',5'-bis[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene].

Molecular Properties

Compound Name1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3'-tris(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4',5'-bis[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene]
PubChem CID134228994
Molecular FormulaC37H35F
Molecular Weight498.69 g/mol
Exact Mass498.27
IUPAC Name1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3'-tris(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4',5'-bis[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene]
SMILESC=C/C=C\C1=C(C=C)C(C=C)=C(/C=C\C=C)C12C(/C=C(/F)C=C)=C(C=C)c1c2ccc(/C=C\C)c1/C=C\C
InChIInChI=1S/C37H35F/c1-9-17-21-32-28(14-6)29(15-7)33(22-18-10-2)37(32)34-24-23-26(19-11-3)31(20-12-4)36(34)30(16-8)35(37)25-27(38)13-5/h9-25H,1-2,5-8H2,3-4H3/b19-11-,20-12-,21-17-,22-18-,27-25+
InChIKeyAFGIRUSDOXBQGB-VIUHLWMQSA-N
XLogP10.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.69
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3'-tris(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4',5'-bis[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene] with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3'-tris(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4',5'-bis[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene]?
The IUPAC name of 1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3'-tris(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4',5'-bis[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene] (CID 134228994) is 1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3'-tris(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4',5'-bis[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene].
What is the SMILES notation for 1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3'-tris(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4',5'-bis[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene]?
The canonical SMILES for 1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3'-tris(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4',5'-bis[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene] is C=C/C=C\C1=C(C=C)C(C=C)=C(/C=C\C=C)C12C(/C=C(/F)C=C)=C(C=C)c1c2ccc(/C=C\C)c1/C=C\C.
What is the InChIKey of 1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3'-tris(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4',5'-bis[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene]?
The InChIKey is AFGIRUSDOXBQGB-VIUHLWMQSA-N. The full InChI is InChI=1S/C37H35F/c1-9-17-21-32-28(14-6)29(15-7)33(22-18-10-2)37(32)34-24-23-26(19-11-3)31(20-12-4)36(34)30(16-8)35(37)25-27(38)13-5/h9-25H,1-2,5-8H2,3-4H3/b19-11-,20-12-,21-17-,22-18-,27-25+.
What are the key properties of 1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3'-tris(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4',5'-bis[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene]?
1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3'-tris(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4',5'-bis[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene] has a molecular weight of 498.69 g/mol, XLogP of 10.45, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3'-tris(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4',5'-bis[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene] is sourced from PubChem (CID 134228994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).