4-(9H-fluoren-1-yl)benzonitrile

C20H13N — CID 154389455

IUPAC4-(9H-fluoren-1-yl)benzonitrile
SMILESN#Cc1ccc(-c2cccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C20H13N/c21-13-14-8-10-15(11-9-14)17-6-3-7-19-18-5-2-1-4-16(18)12-20(17)19/h1-11H,12H2
InChIKeyFEGBSOPTXZXSHS-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.80
Rot. Bonds1

About 4-(9H-fluoren-1-yl)benzonitrile

4-(9H-fluoren-1-yl)benzonitrile (PubChem CID 154389455) has the molecular formula C20H13N and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(9H-fluoren-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(9H-fluoren-1-yl)benzonitrile
PubChem CID154389455
Molecular FormulaC20H13N
Molecular Weight267.33 g/mol
Exact Mass267.10
IUPAC Name4-(9H-fluoren-1-yl)benzonitrile
SMILESN#Cc1ccc(-c2cccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C20H13N/c21-13-14-8-10-15(11-9-14)17-6-3-7-19-18-5-2-1-4-16(18)12-20(17)19/h1-11H,12H2
InChIKeyFEGBSOPTXZXSHS-UHFFFAOYSA-N
XLogP4.80
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-1-yl)benzonitrile?
The IUPAC name of 4-(9H-fluoren-1-yl)benzonitrile (CID 154389455) is 4-(9H-fluoren-1-yl)benzonitrile.
What is the SMILES notation for 4-(9H-fluoren-1-yl)benzonitrile?
The canonical SMILES for 4-(9H-fluoren-1-yl)benzonitrile is N#Cc1ccc(-c2cccc3c2Cc2ccccc2-3)cc1.
What is the InChIKey of 4-(9H-fluoren-1-yl)benzonitrile?
The InChIKey is FEGBSOPTXZXSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N/c21-13-14-8-10-15(11-9-14)17-6-3-7-19-18-5-2-1-4-16(18)12-20(17)19/h1-11H,12H2.
What are the key properties of 4-(9H-fluoren-1-yl)benzonitrile?
4-(9H-fluoren-1-yl)benzonitrile has a molecular weight of 267.33 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-1-yl)benzonitrile is sourced from PubChem (CID 154389455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).