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

C36H33F — CID 134583404

IUPAC1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3',5'-tetrakis(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4'-[(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)c1/C=C\C
InChIInChI=1S/C36H33F/c1-9-17-20-31-27(14-6)28(15-7)32(21-18-10-2)36(31)33-23-22-25(12-4)30(19-11-3)35(33)29(16-8)34(36)24-26(37)13-5/h9-24H,1-2,4-8H2,3H3/b19-11-,20-17-,21-18-,26-24+
InChIKeyRQTQEIIEYBLDMN-HBXXAKDBSA-N
MW484.66 g/mol
LogP10.06
Rot. Bonds11

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

1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3',5'-tetrakis(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4'-[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene] (PubChem CID 134583404) has the molecular formula C36H33F and a molecular weight of 484.66 g/mol. Its IUPAC name is 1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3',5'-tetrakis(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4'-[(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',5'-tetrakis(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4'-[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene]
PubChem CID134583404
Molecular FormulaC36H33F
Molecular Weight484.66 g/mol
Exact Mass484.26
IUPAC Name1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3',5'-tetrakis(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4'-[(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)c1/C=C\C
InChIInChI=1S/C36H33F/c1-9-17-20-31-27(14-6)28(15-7)32(21-18-10-2)36(31)33-23-22-25(12-4)30(19-11-3)35(33)29(16-8)34(36)24-26(37)13-5/h9-24H,1-2,4-8H2,3H3/b19-11-,20-17-,21-18-,26-24+
InChIKeyRQTQEIIEYBLDMN-HBXXAKDBSA-N
XLogP10.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.66
LogP ≤ 510.06
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',5'-tetrakis(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4'-[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3',5'-tetrakis(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4'-[(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',5'-tetrakis(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4'-[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene] (CID 134583404) is 1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3',5'-tetrakis(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4'-[(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',5'-tetrakis(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4'-[(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',5'-tetrakis(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4'-[(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)c1/C=C\C.
What is the InChIKey of 1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3',5'-tetrakis(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4'-[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene]?
The InChIKey is RQTQEIIEYBLDMN-HBXXAKDBSA-N. The full InChI is InChI=1S/C36H33F/c1-9-17-20-31-27(14-6)28(15-7)32(21-18-10-2)36(31)33-23-22-25(12-4)30(19-11-3)35(33)29(16-8)34(36)24-26(37)13-5/h9-24H,1-2,4-8H2,3H3/b19-11-,20-17-,21-18-,26-24+.
What are the key properties of 1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3',5'-tetrakis(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4'-[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene]?
1,4-bis[(1Z)-buta-1,3-dienyl]-2,3,3',5'-tetrakis(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4'-[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene] has a molecular weight of 484.66 g/mol, XLogP of 10.06, 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',5'-tetrakis(ethenyl)-2'-[(1E)-2-fluorobuta-1,3-dienyl]-4'-[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene] is sourced from PubChem (CID 134583404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).