2-phenyl-9,9-dipropylfluorene

C25H26 — CID 154114384

IUPAC2-phenyl-9,9-dipropylfluorene
SMILESCCCC1(CCC)c2ccccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C25H26/c1-3-16-25(17-4-2)23-13-9-8-12-21(23)22-15-14-20(18-24(22)25)19-10-6-5-7-11-19/h5-15,18H,3-4,16-17H2,1-2H3
InChIKeyKSALUYLWZMCZDY-UHFFFAOYSA-N
MW326.48 g/mol
LogP7.22
Rot. Bonds5

About 2-phenyl-9,9-dipropylfluorene

2-phenyl-9,9-dipropylfluorene (PubChem CID 154114384) has the molecular formula C25H26 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-phenyl-9,9-dipropylfluorene.

Molecular Properties

Compound Name2-phenyl-9,9-dipropylfluorene
PubChem CID154114384
Molecular FormulaC25H26
Molecular Weight326.48 g/mol
Exact Mass326.20
IUPAC Name2-phenyl-9,9-dipropylfluorene
SMILESCCCC1(CCC)c2ccccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C25H26/c1-3-16-25(17-4-2)23-13-9-8-12-21(23)22-15-14-20(18-24(22)25)19-10-6-5-7-11-19/h5-15,18H,3-4,16-17H2,1-2H3
InChIKeyKSALUYLWZMCZDY-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9,9-dipropylfluorene?
The IUPAC name of 2-phenyl-9,9-dipropylfluorene (CID 154114384) is 2-phenyl-9,9-dipropylfluorene.
What is the SMILES notation for 2-phenyl-9,9-dipropylfluorene?
The canonical SMILES for 2-phenyl-9,9-dipropylfluorene is CCCC1(CCC)c2ccccc2-c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 2-phenyl-9,9-dipropylfluorene?
The InChIKey is KSALUYLWZMCZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26/c1-3-16-25(17-4-2)23-13-9-8-12-21(23)22-15-14-20(18-24(22)25)19-10-6-5-7-11-19/h5-15,18H,3-4,16-17H2,1-2H3.
What are the key properties of 2-phenyl-9,9-dipropylfluorene?
2-phenyl-9,9-dipropylfluorene has a molecular weight of 326.48 g/mol, XLogP of 7.22, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9,9-dipropylfluorene is sourced from PubChem (CID 154114384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).