3-ethenyl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]indene

C27H28 — CID 143139449

IUPAC3-ethenyl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]indene
SMILESC=C/C=C\C(=C/C)C1(/C(C=C)=C/C=C)C(/C=C\C)=C(C=C)c2ccccc21
InChIInChI=1S/C27H28/c1-7-13-18-22(11-5)27(21(10-4)16-8-2)25(17-9-3)23(12-6)24-19-14-15-20-26(24)27/h7-20H,1-2,4,6H2,3,5H3/b17-9-,18-13-,21-16+,22-11+
InChIKeyHLFVPCZTONQGQX-XIQCNJRHSA-N
MW352.52 g/mol
LogP7.44
Rot. Bonds8

About 3-ethenyl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]indene

3-ethenyl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]indene (PubChem CID 143139449) has the molecular formula C27H28 and a molecular weight of 352.52 g/mol. Its IUPAC name is 3-ethenyl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]indene.

Molecular Properties

Compound Name3-ethenyl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]indene
PubChem CID143139449
Molecular FormulaC27H28
Molecular Weight352.52 g/mol
Exact Mass352.22
IUPAC Name3-ethenyl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]indene
SMILESC=C/C=C\C(=C/C)C1(/C(C=C)=C/C=C)C(/C=C\C)=C(C=C)c2ccccc21
InChIInChI=1S/C27H28/c1-7-13-18-22(11-5)27(21(10-4)16-8-2)25(17-9-3)23(12-6)24-19-14-15-20-26(24)27/h7-20H,1-2,4,6H2,3,5H3/b17-9-,18-13-,21-16+,22-11+
InChIKeyHLFVPCZTONQGQX-XIQCNJRHSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-[(3E)-hexa-1,3,5-trien-3-yl]-9-[(3Z,5E,7Z)-nona-1,3,5,7-tetraen-5-yl]fluorene
CID 145055361
1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-5-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-3,4-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene
CID 174026626
1,2'-bis[(1Z)-buta-1,3-dienyl]-2,3'-bis(ethenyl)-3-methyl-4-[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene]
CID 174069889
3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145204058
9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[(3E)-hexa-1,3-dien-3-yl]fluorene
CID 142585263
9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-[(2E,4Z)-hexa-2,4-dien-2-yl]fluorene
CID 144566390
2-[[(3Z,5E)-5-[2,3-bis(ethenyl)-1-[(1E,3E)-1-ethenyl-4-(oxiran-2-ylmethoxy)penta-1,3-dienyl]inden-1-yl]hepta-1,3,5-trien-2-yl]oxymethyl]oxirane
CID 155228879
3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene]
CID 143984015
3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
CID 144911605
2-[(1Z)-buta-1,3-dienyl]-2'-ethenyl-3-methyl-3'-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 142597844
(2E,3Z)-3-ethylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1-phenyl-2-prop-2-enylideneindene
CID 175618612
2',3,3'-tris(ethenyl)-5-methyl-2-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145301502

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]indene?
The IUPAC name of 3-ethenyl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]indene (CID 143139449) is 3-ethenyl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]indene.
What is the SMILES notation for 3-ethenyl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]indene?
The canonical SMILES for 3-ethenyl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]indene is C=C/C=C\C(=C/C)C1(/C(C=C)=C/C=C)C(/C=C\C)=C(C=C)c2ccccc21.
What is the InChIKey of 3-ethenyl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]indene?
The InChIKey is HLFVPCZTONQGQX-XIQCNJRHSA-N. The full InChI is InChI=1S/C27H28/c1-7-13-18-22(11-5)27(21(10-4)16-8-2)25(17-9-3)23(12-6)24-19-14-15-20-26(24)27/h7-20H,1-2,4,6H2,3,5H3/b17-9-,18-13-,21-16+,22-11+.
What are the key properties of 3-ethenyl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]indene?
3-ethenyl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]indene has a molecular weight of 352.52 g/mol, XLogP of 7.44, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]indene is sourced from PubChem (CID 143139449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).