9-[(3E)-hexa-1,3,5-trien-3-yl]-9-[(3Z,5E,7Z)-nona-1,3,5,7-tetraen-5-yl]fluorene

C28H26 — CID 145055361

IUPAC9-[(3E)-hexa-1,3,5-trien-3-yl]-9-[(3Z,5E,7Z)-nona-1,3,5,7-tetraen-5-yl]fluorene
SMILESC=C/C=C\C(=C/C=C\C)C1(/C(C=C)=C/C=C)c2ccccc2-c2ccccc21
InChIInChI=1S/C28H26/c1-5-9-16-23(17-10-6-2)28(22(8-4)15-7-3)26-20-13-11-18-24(26)25-19-12-14-21-27(25)28/h5-21H,1,3-4H2,2H3/b10-6-,16-9-,22-15+,23-17+
InChIKeyGBOJHNCDVLKGKT-BJRHDDRVSA-N
MW362.52 g/mol
LogP7.50
Rot. Bonds7

About 9-[(3E)-hexa-1,3,5-trien-3-yl]-9-[(3Z,5E,7Z)-nona-1,3,5,7-tetraen-5-yl]fluorene

9-[(3E)-hexa-1,3,5-trien-3-yl]-9-[(3Z,5E,7Z)-nona-1,3,5,7-tetraen-5-yl]fluorene (PubChem CID 145055361) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 9-[(3E)-hexa-1,3,5-trien-3-yl]-9-[(3Z,5E,7Z)-nona-1,3,5,7-tetraen-5-yl]fluorene.

Molecular Properties

Compound Name9-[(3E)-hexa-1,3,5-trien-3-yl]-9-[(3Z,5E,7Z)-nona-1,3,5,7-tetraen-5-yl]fluorene
PubChem CID145055361
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name9-[(3E)-hexa-1,3,5-trien-3-yl]-9-[(3Z,5E,7Z)-nona-1,3,5,7-tetraen-5-yl]fluorene
SMILESC=C/C=C\C(=C/C=C\C)C1(/C(C=C)=C/C=C)c2ccccc2-c2ccccc21
InChIInChI=1S/C28H26/c1-5-9-16-23(17-10-6-2)28(22(8-4)15-7-3)26-20-13-11-18-24(26)25-19-12-14-21-27(25)28/h5-21H,1,3-4H2,2H3/b10-6-,16-9-,22-15+,23-17+
InChIKeyGBOJHNCDVLKGKT-BJRHDDRVSA-N
XLogP7.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 57.50
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

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-[(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
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
(2E,3Z)-3-ethylidene-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1-phenyl-2-prop-2-enylideneindene
CID 175618612
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
9-cyclohexa-1,5-dien-3-yn-1-yl-9-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]fluorene
CID 144983528
ethane;9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]anthracene
CID 143808734
N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline
CID 59889814
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3,3-dimethyl-1-phenylinden-2-one
CID 138623375
[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-phenylphosphane
CID 156713969
9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-methylfluorene
CID 143006458

Frequently Asked Questions

What is the IUPAC name of 9-[(3E)-hexa-1,3,5-trien-3-yl]-9-[(3Z,5E,7Z)-nona-1,3,5,7-tetraen-5-yl]fluorene?
The IUPAC name of 9-[(3E)-hexa-1,3,5-trien-3-yl]-9-[(3Z,5E,7Z)-nona-1,3,5,7-tetraen-5-yl]fluorene (CID 145055361) is 9-[(3E)-hexa-1,3,5-trien-3-yl]-9-[(3Z,5E,7Z)-nona-1,3,5,7-tetraen-5-yl]fluorene.
What is the SMILES notation for 9-[(3E)-hexa-1,3,5-trien-3-yl]-9-[(3Z,5E,7Z)-nona-1,3,5,7-tetraen-5-yl]fluorene?
The canonical SMILES for 9-[(3E)-hexa-1,3,5-trien-3-yl]-9-[(3Z,5E,7Z)-nona-1,3,5,7-tetraen-5-yl]fluorene is C=C/C=C\C(=C/C=C\C)C1(/C(C=C)=C/C=C)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[(3E)-hexa-1,3,5-trien-3-yl]-9-[(3Z,5E,7Z)-nona-1,3,5,7-tetraen-5-yl]fluorene?
The InChIKey is GBOJHNCDVLKGKT-BJRHDDRVSA-N. The full InChI is InChI=1S/C28H26/c1-5-9-16-23(17-10-6-2)28(22(8-4)15-7-3)26-20-13-11-18-24(26)25-19-12-14-21-27(25)28/h5-21H,1,3-4H2,2H3/b10-6-,16-9-,22-15+,23-17+.
What are the key properties of 9-[(3E)-hexa-1,3,5-trien-3-yl]-9-[(3Z,5E,7Z)-nona-1,3,5,7-tetraen-5-yl]fluorene?
9-[(3E)-hexa-1,3,5-trien-3-yl]-9-[(3Z,5E,7Z)-nona-1,3,5,7-tetraen-5-yl]fluorene has a molecular weight of 362.52 g/mol, XLogP of 7.50, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3E)-hexa-1,3,5-trien-3-yl]-9-[(3Z,5E,7Z)-nona-1,3,5,7-tetraen-5-yl]fluorene is sourced from PubChem (CID 145055361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).