3,6-dichloro-9-fluoren-9-ylidenefluorene

C26H14Cl2 — CID 10992959

IUPAC3,6-dichloro-9-fluoren-9-ylidenefluorene
SMILESClc1ccc2c(c1)-c1cc(Cl)ccc1C2=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H14Cl2/c27-15-9-11-21-23(13-15)24-14-16(28)10-12-22(24)26(21)25-19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14H
InChIKeyLITXTFNHYDRDAG-UHFFFAOYSA-N
MW397.30 g/mol
LogP7.96
Rot. Bonds

About 3,6-dichloro-9-fluoren-9-ylidenefluorene

3,6-dichloro-9-fluoren-9-ylidenefluorene (PubChem CID 10992959) has the molecular formula C26H14Cl2 and a molecular weight of 397.30 g/mol. Its IUPAC name is 3,6-dichloro-9-fluoren-9-ylidenefluorene.

Molecular Properties

Compound Name3,6-dichloro-9-fluoren-9-ylidenefluorene
PubChem CID10992959
Molecular FormulaC26H14Cl2
Molecular Weight397.30 g/mol
Exact Mass396.05
IUPAC Name3,6-dichloro-9-fluoren-9-ylidenefluorene
SMILESClc1ccc2c(c1)-c1cc(Cl)ccc1C2=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H14Cl2/c27-15-9-11-21-23(13-15)24-14-16(28)10-12-22(24)26(21)25-19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14H
InChIKeyLITXTFNHYDRDAG-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.30
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-9-fluoren-9-ylidenefluorene?
The IUPAC name of 3,6-dichloro-9-fluoren-9-ylidenefluorene (CID 10992959) is 3,6-dichloro-9-fluoren-9-ylidenefluorene.
What is the SMILES notation for 3,6-dichloro-9-fluoren-9-ylidenefluorene?
The canonical SMILES for 3,6-dichloro-9-fluoren-9-ylidenefluorene is Clc1ccc2c(c1)-c1cc(Cl)ccc1C2=C1c2ccccc2-c2ccccc21.
What is the InChIKey of 3,6-dichloro-9-fluoren-9-ylidenefluorene?
The InChIKey is LITXTFNHYDRDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14Cl2/c27-15-9-11-21-23(13-15)24-14-16(28)10-12-22(24)26(21)25-19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14H.
What are the key properties of 3,6-dichloro-9-fluoren-9-ylidenefluorene?
3,6-dichloro-9-fluoren-9-ylidenefluorene has a molecular weight of 397.30 g/mol, XLogP of 7.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-9-fluoren-9-ylidenefluorene is sourced from PubChem (CID 10992959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).