9,9-dimethylfluorene-4-carbonitrile

C16H13N — CID 67375715

IUPAC9,9-dimethylfluorene-4-carbonitrile
SMILESCC1(C)c2ccccc2-c2c(C#N)cccc21
InChIInChI=1S/C16H13N/c1-16(2)13-8-4-3-7-12(13)15-11(10-17)6-5-9-14(15)16/h3-9H,1-2H3
InChIKeyGMQYMPDRWAWISS-UHFFFAOYSA-N
MW219.29 g/mol
LogP3.86
Rot. Bonds

About 9,9-dimethylfluorene-4-carbonitrile

9,9-dimethylfluorene-4-carbonitrile (PubChem CID 67375715) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 9,9-dimethylfluorene-4-carbonitrile.

Molecular Properties

Compound Name9,9-dimethylfluorene-4-carbonitrile
PubChem CID67375715
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name9,9-dimethylfluorene-4-carbonitrile
SMILESCC1(C)c2ccccc2-c2c(C#N)cccc21
InChIInChI=1S/C16H13N/c1-16(2)13-8-4-3-7-12(13)15-11(10-17)6-5-9-14(15)16/h3-9H,1-2H3
InChIKeyGMQYMPDRWAWISS-UHFFFAOYSA-N
XLogP3.86
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 166796495
9,9-dimethyl-7-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]fluorene-4-carbonitrile
CID 166796610
7-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 138750088
7-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 138749717
9,9-dimethyl-6-[4-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluorene-4-carbonitrile
CID 159895253
9,9-dimethyl-6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile
CID 166796594
ethane;4,9,9-trimethylfluorene
CID 123917181
9,9-dimethyl-7-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]fluorene-4-carbonitrile
CID 162775710
4-[(9,9-dimethylfluoren-4-yl)amino]benzonitrile
CID 122666287
carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+)
CID 59317562
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethylfluorene-4-carbonitrile?
The IUPAC name of 9,9-dimethylfluorene-4-carbonitrile (CID 67375715) is 9,9-dimethylfluorene-4-carbonitrile.
What is the SMILES notation for 9,9-dimethylfluorene-4-carbonitrile?
The canonical SMILES for 9,9-dimethylfluorene-4-carbonitrile is CC1(C)c2ccccc2-c2c(C#N)cccc21.
What is the InChIKey of 9,9-dimethylfluorene-4-carbonitrile?
The InChIKey is GMQYMPDRWAWISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-16(2)13-8-4-3-7-12(13)15-11(10-17)6-5-9-14(15)16/h3-9H,1-2H3.
What are the key properties of 9,9-dimethylfluorene-4-carbonitrile?
9,9-dimethylfluorene-4-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethylfluorene-4-carbonitrile is sourced from PubChem (CID 67375715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).