3-(9H-fluoren-9-yl)-3-phenylpropanenitrile

C22H17N — CID 3386304

IUPAC3-(9H-fluoren-9-yl)-3-phenylpropanenitrile
SMILESN#CCC(c1ccccc1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H17N/c23-15-14-17(16-8-2-1-3-9-16)22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,17,22H,14H2
InChIKeyKFOOYGMSQMTFNS-UHFFFAOYSA-N
MW295.39 g/mol
LogP5.50
Rot. Bonds3

About 3-(9H-fluoren-9-yl)-3-phenylpropanenitrile

3-(9H-fluoren-9-yl)-3-phenylpropanenitrile (PubChem CID 3386304) has the molecular formula C22H17N and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-(9H-fluoren-9-yl)-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-(9H-fluoren-9-yl)-3-phenylpropanenitrile
PubChem CID3386304
Molecular FormulaC22H17N
Molecular Weight295.39 g/mol
Exact Mass295.14
IUPAC Name3-(9H-fluoren-9-yl)-3-phenylpropanenitrile
SMILESN#CCC(c1ccccc1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H17N/c23-15-14-17(16-8-2-1-3-9-16)22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,17,22H,14H2
InChIKeyKFOOYGMSQMTFNS-UHFFFAOYSA-N
XLogP5.50
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.39
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-yl)-3-phenylpropanenitrile?
The IUPAC name of 3-(9H-fluoren-9-yl)-3-phenylpropanenitrile (CID 3386304) is 3-(9H-fluoren-9-yl)-3-phenylpropanenitrile.
What is the SMILES notation for 3-(9H-fluoren-9-yl)-3-phenylpropanenitrile?
The canonical SMILES for 3-(9H-fluoren-9-yl)-3-phenylpropanenitrile is N#CCC(c1ccccc1)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-(9H-fluoren-9-yl)-3-phenylpropanenitrile?
The InChIKey is KFOOYGMSQMTFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N/c23-15-14-17(16-8-2-1-3-9-16)22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,17,22H,14H2.
What are the key properties of 3-(9H-fluoren-9-yl)-3-phenylpropanenitrile?
3-(9H-fluoren-9-yl)-3-phenylpropanenitrile has a molecular weight of 295.39 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-yl)-3-phenylpropanenitrile is sourced from PubChem (CID 3386304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).