9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-[(2E,4Z)-hexa-2,4-dien-2-yl]fluorene

C26H26 — CID 144566390

IUPAC9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-[(2E,4Z)-hexa-2,4-dien-2-yl]fluorene
SMILESC=C/C=C(\C=C/C)C1(/C(C)=C/C=C\C)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26/c1-5-8-15-20(4)26(21(13-6-2)14-7-3)24-18-11-9-16-22(24)23-17-10-12-19-25(23)26/h5-19H,2H2,1,3-4H3/b8-5-,14-7-,20-15+,21-13+
InChIKeyBOKRCQBJCVRJLY-WRTOFRCFSA-N
MW338.49 g/mol
LogP7.16
Rot. Bonds5

About 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-[(2E,4Z)-hexa-2,4-dien-2-yl]fluorene

9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-[(2E,4Z)-hexa-2,4-dien-2-yl]fluorene (PubChem CID 144566390) has the molecular formula C26H26 and a molecular weight of 338.49 g/mol. Its IUPAC name is 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-[(2E,4Z)-hexa-2,4-dien-2-yl]fluorene.

Molecular Properties

Compound Name9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-[(2E,4Z)-hexa-2,4-dien-2-yl]fluorene
PubChem CID144566390
Molecular FormulaC26H26
Molecular Weight338.49 g/mol
Exact Mass338.20
IUPAC Name9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-[(2E,4Z)-hexa-2,4-dien-2-yl]fluorene
SMILESC=C/C=C(\C=C/C)C1(/C(C)=C/C=C\C)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26/c1-5-8-15-20(4)26(21(13-6-2)14-7-3)24-18-11-9-16-22(24)23-17-10-12-19-25(23)26/h5-19H,2H2,1,3-4H3/b8-5-,14-7-,20-15+,21-13+
InChIKeyBOKRCQBJCVRJLY-WRTOFRCFSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 57.16
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
9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[(3E)-hexa-1,3-dien-3-yl]fluorene
CID 142585263
9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylfluorene
CID 143006458
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
9-cyclohexa-1,5-dien-3-yn-1-yl-9-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]fluorene
CID 144983528
(2E,4E)-5-[9-[(3Z)-5-hydroxyhexa-1,3,5-trien-2-yl]fluoren-9-yl]hexa-2,4-dien-2-ol
CID 144795099
3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]-2-phenylisoindol-1-one
CID 139447254
13-cyclohepta-1,3,4,6-tetraen-1-yl-1-[(3E,5Z)-hepta-3,5-dien-1-yn-3-yl]-13-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 145303073
9-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-9-phenylfluorene
CID 163640808
(10Z,12E)-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylidene-8-phenyltetracyclo[11.6.1.02,7.014,19]icosa-2,4,6,10,12,14,16,18-octaene
CID 145302952
(2E,3Z)-3-ethylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1-phenyl-2-prop-2-enylideneindene
CID 175618612
9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-phenyl-N,N,3-tris(4-phenylphenyl)fluoren-2-amine
CID 142515593

Frequently Asked Questions

What is the IUPAC name of 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-[(2E,4Z)-hexa-2,4-dien-2-yl]fluorene?
The IUPAC name of 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-[(2E,4Z)-hexa-2,4-dien-2-yl]fluorene (CID 144566390) is 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-[(2E,4Z)-hexa-2,4-dien-2-yl]fluorene.
What is the SMILES notation for 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-[(2E,4Z)-hexa-2,4-dien-2-yl]fluorene?
The canonical SMILES for 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-[(2E,4Z)-hexa-2,4-dien-2-yl]fluorene is C=C/C=C(\C=C/C)C1(/C(C)=C/C=C\C)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-[(2E,4Z)-hexa-2,4-dien-2-yl]fluorene?
The InChIKey is BOKRCQBJCVRJLY-WRTOFRCFSA-N. The full InChI is InChI=1S/C26H26/c1-5-8-15-20(4)26(21(13-6-2)14-7-3)24-18-11-9-16-22(24)23-17-10-12-19-25(23)26/h5-19H,2H2,1,3-4H3/b8-5-,14-7-,20-15+,21-13+.
What are the key properties of 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-[(2E,4Z)-hexa-2,4-dien-2-yl]fluorene?
9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-[(2E,4Z)-hexa-2,4-dien-2-yl]fluorene has a molecular weight of 338.49 g/mol, XLogP of 7.16, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-[(2E,4Z)-hexa-2,4-dien-2-yl]fluorene is sourced from PubChem (CID 144566390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).