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

C26H26 — CID 142585263

IUPAC9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[(3E)-hexa-1,3-dien-3-yl]fluorene
SMILESC=C/C(=C\C=C/C)C1(/C(C=C)=C/CC)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26/c1-5-9-15-21(8-4)26(20(7-3)14-6-2)24-18-12-10-16-22(24)23-17-11-13-19-25(23)26/h5,7-19H,3-4,6H2,1-2H3/b9-5-,20-14+,21-15+
InChIKeyXPOXGMLNTJTRIM-KJTZEEGVSA-N
MW338.49 g/mol
LogP7.16
Rot. Bonds6

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

9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[(3E)-hexa-1,3-dien-3-yl]fluorene (PubChem CID 142585263) 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-3-yl]-9-[(3E)-hexa-1,3-dien-3-yl]fluorene.

Molecular Properties

Compound Name9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[(3E)-hexa-1,3-dien-3-yl]fluorene
PubChem CID142585263
Molecular FormulaC26H26
Molecular Weight338.49 g/mol
Exact Mass338.20
IUPAC Name9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[(3E)-hexa-1,3-dien-3-yl]fluorene
SMILESC=C/C(=C\C=C/C)C1(/C(C=C)=C/CC)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26/c1-5-9-15-21(8-4)26(20(7-3)14-6-2)24-18-12-10-16-22(24)23-17-11-13-19-25(23)26/h5,7-19H,3-4,6H2,1-2H3/b9-5-,20-14+,21-15+
InChIKeyXPOXGMLNTJTRIM-KJTZEEGVSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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-4-yl]-9-[(2E,4Z)-hexa-2,4-dien-2-yl]fluorene
CID 144566390
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
3-[9-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]fluoren-9-yl]-1H-pyrrole
CID 170389500
4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9,9-dimethylfluorene;methane
CID 142508908
9-cyclohexa-1,5-dien-3-yn-1-yl-9-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]fluorene
CID 144983528
4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-hydroxycyclohexa-2,5-dien-1-one
CID 142202591
1-hepta-1,3,5-trien-3-yl-2-methylbenzene
CID 123500463
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]aniline
CID 144768170
(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
9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylfluorene
CID 143006458
2-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-1,3-dihydroindene
CID 167499533

Frequently Asked Questions

What is the IUPAC name of 9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[(3E)-hexa-1,3-dien-3-yl]fluorene?
The IUPAC name of 9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[(3E)-hexa-1,3-dien-3-yl]fluorene (CID 142585263) is 9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[(3E)-hexa-1,3-dien-3-yl]fluorene.
What is the SMILES notation for 9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[(3E)-hexa-1,3-dien-3-yl]fluorene?
The canonical SMILES for 9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[(3E)-hexa-1,3-dien-3-yl]fluorene is C=C/C(=C\C=C/C)C1(/C(C=C)=C/CC)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[(3E)-hexa-1,3-dien-3-yl]fluorene?
The InChIKey is XPOXGMLNTJTRIM-KJTZEEGVSA-N. The full InChI is InChI=1S/C26H26/c1-5-9-15-21(8-4)26(20(7-3)14-6-2)24-18-12-10-16-22(24)23-17-11-13-19-25(23)26/h5,7-19H,3-4,6H2,1-2H3/b9-5-,20-14+,21-15+.
What are the key properties of 9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[(3E)-hexa-1,3-dien-3-yl]fluorene?
9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[(3E)-hexa-1,3-dien-3-yl]fluorene has a molecular weight of 338.49 g/mol, XLogP of 7.16, 6 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-3-yl]-9-[(3E)-hexa-1,3-dien-3-yl]fluorene is sourced from PubChem (CID 142585263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).