4-[(9,9-dimethylfluoren-4-yl)amino]benzonitrile

C22H18N2 — CID 122666287

IUPAC4-[(9,9-dimethylfluoren-4-yl)amino]benzonitrile
SMILESCC1(C)c2ccccc2-c2c(Nc3ccc(C#N)cc3)cccc21
InChIInChI=1S/C22H18N2/c1-22(2)18-7-4-3-6-17(18)21-19(22)8-5-9-20(21)24-16-12-10-15(14-23)11-13-16/h3-13,24H,1-2H3
InChIKeyKJUVJIPOFFJCGZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.61
Rot. Bonds2

About 4-[(9,9-dimethylfluoren-4-yl)amino]benzonitrile

4-[(9,9-dimethylfluoren-4-yl)amino]benzonitrile (PubChem CID 122666287) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[(9,9-dimethylfluoren-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(9,9-dimethylfluoren-4-yl)amino]benzonitrile
PubChem CID122666287
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name4-[(9,9-dimethylfluoren-4-yl)amino]benzonitrile
SMILESCC1(C)c2ccccc2-c2c(Nc3ccc(C#N)cc3)cccc21
InChIInChI=1S/C22H18N2/c1-22(2)18-7-4-3-6-17(18)21-19(22)8-5-9-20(21)24-16-12-10-15(14-23)11-13-16/h3-13,24H,1-2H3
InChIKeyKJUVJIPOFFJCGZ-UHFFFAOYSA-N
XLogP5.61
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(9,9-dimethylfluoren-4-yl)amino]benzonitrile?
The IUPAC name of 4-[(9,9-dimethylfluoren-4-yl)amino]benzonitrile (CID 122666287) is 4-[(9,9-dimethylfluoren-4-yl)amino]benzonitrile.
What is the SMILES notation for 4-[(9,9-dimethylfluoren-4-yl)amino]benzonitrile?
The canonical SMILES for 4-[(9,9-dimethylfluoren-4-yl)amino]benzonitrile is CC1(C)c2ccccc2-c2c(Nc3ccc(C#N)cc3)cccc21.
What is the InChIKey of 4-[(9,9-dimethylfluoren-4-yl)amino]benzonitrile?
The InChIKey is KJUVJIPOFFJCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c1-22(2)18-7-4-3-6-17(18)21-19(22)8-5-9-20(21)24-16-12-10-15(14-23)11-13-16/h3-13,24H,1-2H3.
What are the key properties of 4-[(9,9-dimethylfluoren-4-yl)amino]benzonitrile?
4-[(9,9-dimethylfluoren-4-yl)amino]benzonitrile has a molecular weight of 310.40 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9,9-dimethylfluoren-4-yl)amino]benzonitrile is sourced from PubChem (CID 122666287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).