bis(9H-fluorene);pentane

C31H32 — CID 159146463

IUPACbis(9H-fluorene);pentane
SMILESCCCCC.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/2C13H10.C5H12/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-5-4-2/h2*1-8H,9H2;3-5H2,1-2H3
InChIKeyKISYHOVGGXJWCS-UHFFFAOYSA-N
MW404.60 g/mol
LogP8.71
Rot. Bonds2

About bis(9H-fluorene);pentane

bis(9H-fluorene);pentane (PubChem CID 159146463) has the molecular formula C31H32 and a molecular weight of 404.60 g/mol. Its IUPAC name is bis(9H-fluorene);pentane.

Molecular Properties

Compound Namebis(9H-fluorene);pentane
PubChem CID159146463
Molecular FormulaC31H32
Molecular Weight404.60 g/mol
Exact Mass404.25
IUPAC Namebis(9H-fluorene);pentane
SMILESCCCCC.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/2C13H10.C5H12/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-5-4-2/h2*1-8H,9H2;3-5H2,1-2H3
InChIKeyKISYHOVGGXJWCS-UHFFFAOYSA-N
XLogP8.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(9H-fluorene);pentane?
The IUPAC name of bis(9H-fluorene);pentane (CID 159146463) is bis(9H-fluorene);pentane.
What is the SMILES notation for bis(9H-fluorene);pentane?
The canonical SMILES for bis(9H-fluorene);pentane is CCCCC.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of bis(9H-fluorene);pentane?
The InChIKey is KISYHOVGGXJWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H10.C5H12/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-5-4-2/h2*1-8H,9H2;3-5H2,1-2H3.
What are the key properties of bis(9H-fluorene);pentane?
bis(9H-fluorene);pentane has a molecular weight of 404.60 g/mol, XLogP of 8.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9H-fluorene);pentane is sourced from PubChem (CID 159146463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).