9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene

C31H28 — CID 19706049

IUPAC9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene
SMILESCCCCC(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C31H28/c1-2-3-12-29(30-25-17-8-4-13-21(25)22-14-5-9-18-26(22)30)31-27-19-10-6-15-23(27)24-16-7-11-20-28(24)31/h4-11,13-20,29-31H,2-3,12H2,1H3
InChIKeyDSLDWKPEUKYGDH-UHFFFAOYSA-N
MW400.57 g/mol
LogP8.42
Rot. Bonds5

About 9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene

9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene (PubChem CID 19706049) has the molecular formula C31H28 and a molecular weight of 400.57 g/mol. Its IUPAC name is 9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene.

Molecular Properties

Compound Name9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene
PubChem CID19706049
Molecular FormulaC31H28
Molecular Weight400.57 g/mol
Exact Mass400.22
IUPAC Name9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene
SMILESCCCCC(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C31H28/c1-2-3-12-29(30-25-17-8-4-13-21(25)22-14-5-9-18-26(22)30)31-27-19-10-6-15-23(27)24-16-7-11-20-28(24)31/h4-11,13-20,29-31H,2-3,12H2,1H3
InChIKeyDSLDWKPEUKYGDH-UHFFFAOYSA-N
XLogP8.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene?
The IUPAC name of 9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene (CID 19706049) is 9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene.
What is the SMILES notation for 9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene?
The canonical SMILES for 9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene is CCCCC(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene?
The InChIKey is DSLDWKPEUKYGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28/c1-2-3-12-29(30-25-17-8-4-13-21(25)22-14-5-9-18-26(22)30)31-27-19-10-6-15-23(27)24-16-7-11-20-28(24)31/h4-11,13-20,29-31H,2-3,12H2,1H3.
What are the key properties of 9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene?
9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene has a molecular weight of 400.57 g/mol, XLogP of 8.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene is sourced from PubChem (CID 19706049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).