7,9-dimethyl-9H-fluorene-2-carbonitrile

C16H13N — CID 149236608

IUPAC7,9-dimethyl-9H-fluorene-2-carbonitrile
SMILESCc1ccc2c(c1)C(C)c1cc(C#N)ccc1-2
InChIInChI=1S/C16H13N/c1-10-3-5-13-14-6-4-12(9-17)8-16(14)11(2)15(13)7-10/h3-8,11H,1-2H3
InChIKeyXLIRSTWTPKYUOK-UHFFFAOYSA-N
MW219.29 g/mol
LogP4.00
Rot. Bonds

About 7,9-dimethyl-9H-fluorene-2-carbonitrile

7,9-dimethyl-9H-fluorene-2-carbonitrile (PubChem CID 149236608) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 7,9-dimethyl-9H-fluorene-2-carbonitrile.

Molecular Properties

Compound Name7,9-dimethyl-9H-fluorene-2-carbonitrile
PubChem CID149236608
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name7,9-dimethyl-9H-fluorene-2-carbonitrile
SMILESCc1ccc2c(c1)C(C)c1cc(C#N)ccc1-2
InChIInChI=1S/C16H13N/c1-10-3-5-13-14-6-4-12(9-17)8-16(14)11(2)15(13)7-10/h3-8,11H,1-2H3
InChIKeyXLIRSTWTPKYUOK-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-dimethyl-9,9'-spirobi[fluorene]-2',7'-dicarbonitrile
CID 118408607
7,9,9-trimethylfluorene-2-carbonitrile
CID 129176208
4-(2-fluoro-4-methylphenyl)benzonitrile
CID 18724351
3,5-dimethyl-2-methylidene-3H-inden-1-one
CID 130031161
3-(2,5-dimethylphenyl)-4-hydroxybenzonitrile
CID 13415173
8-methyldibenzofuran-2-carbonitrile
CID 118232593
3-chloro-4-(3-methylphenyl)benzonitrile
CID 172914817
4-methyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)benzonitrile
CID 62105440
(2S)-3-(2,4-dimethylphenyl)-1,2-dimethyl-2H-benzimidazole-5-carbonitrile
CID 122433498
2-methyl-9-[2-(2-methyl-9H-fluoren-9-yl)ethyl]-9H-fluorene
CID 15494405
9-ethenyl-2,7-dimethyl-9H-fluorene
CID 22619298
4-(1,5-dimethylpyridin-1-ium-2-yl)-3-methylbenzonitrile
CID 177271047

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-9H-fluorene-2-carbonitrile?
The IUPAC name of 7,9-dimethyl-9H-fluorene-2-carbonitrile (CID 149236608) is 7,9-dimethyl-9H-fluorene-2-carbonitrile.
What is the SMILES notation for 7,9-dimethyl-9H-fluorene-2-carbonitrile?
The canonical SMILES for 7,9-dimethyl-9H-fluorene-2-carbonitrile is Cc1ccc2c(c1)C(C)c1cc(C#N)ccc1-2.
What is the InChIKey of 7,9-dimethyl-9H-fluorene-2-carbonitrile?
The InChIKey is XLIRSTWTPKYUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-10-3-5-13-14-6-4-12(9-17)8-16(14)11(2)15(13)7-10/h3-8,11H,1-2H3.
What are the key properties of 7,9-dimethyl-9H-fluorene-2-carbonitrile?
7,9-dimethyl-9H-fluorene-2-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-9H-fluorene-2-carbonitrile is sourced from PubChem (CID 149236608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).