7-nitro-9,9-dipropylfluorene-2-carbonitrile

C20H20N2O2 — CID 11023645

IUPAC7-nitro-9,9-dipropylfluorene-2-carbonitrile
SMILESCCCC1(CCC)c2cc(C#N)ccc2-c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C20H20N2O2/c1-3-9-20(10-4-2)18-11-14(13-21)5-7-16(18)17-8-6-15(22(23)24)12-19(17)20/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyZKWTUFGUKFHWGV-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.33
Rot. Bonds5

About 7-nitro-9,9-dipropylfluorene-2-carbonitrile

7-nitro-9,9-dipropylfluorene-2-carbonitrile (PubChem CID 11023645) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 7-nitro-9,9-dipropylfluorene-2-carbonitrile.

Molecular Properties

Compound Name7-nitro-9,9-dipropylfluorene-2-carbonitrile
PubChem CID11023645
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name7-nitro-9,9-dipropylfluorene-2-carbonitrile
SMILESCCCC1(CCC)c2cc(C#N)ccc2-c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C20H20N2O2/c1-3-9-20(10-4-2)18-11-14(13-21)5-7-16(18)17-8-6-15(22(23)24)12-19(17)20/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyZKWTUFGUKFHWGV-UHFFFAOYSA-N
XLogP5.33
TPSA66.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-(7-nitro-9,9-dipropylfluoren-2-yl)propan-1-one
CID 145412519
(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methanone
CID 118371862
2-(9,9-dibutyl-7-nitrofluoren-2-yl)acetaldehyde
CID 141396577
N-[1-(9,9-dibutyl-7-nitrofluoren-2-yl)ethylidene]hydroxylamine
CID 131735412
4-methyl-3-(2-methyl-4-nitrophenyl)benzonitrile
CID 70273781
6-methyl-2-(7-nitro-9,9-dipropylfluoren-2-yl)-1,3-benzoxazole
CID 11133699
2-[3,5-bis(7-ethynyl-9,9-dipropylfluoren-2-yl)phenyl]-7-ethynyl-9,9-dipropylfluorene
CID 58587187
4-(4-chlorophenyl)sulfanyl-1-(7-nitro-9,9-dipropylfluoren-2-yl)butan-1-one
CID 118371888
N-[bis[1-(2-methylphenyl)-7-nitro-9,9-dipropylfluoren-2-yl]methylidene]hydroxylamine
CID 129094210
propyl (5Z)-5-(7-nitro-9,9-dipropylfluoren-2-yl)-5-propanoyloxyiminopentanoate
CID 164786843
7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 170276569
2-ethyl-4-nitrobenzonitrile
CID 67236310

Frequently Asked Questions

What is the IUPAC name of 7-nitro-9,9-dipropylfluorene-2-carbonitrile?
The IUPAC name of 7-nitro-9,9-dipropylfluorene-2-carbonitrile (CID 11023645) is 7-nitro-9,9-dipropylfluorene-2-carbonitrile.
What is the SMILES notation for 7-nitro-9,9-dipropylfluorene-2-carbonitrile?
The canonical SMILES for 7-nitro-9,9-dipropylfluorene-2-carbonitrile is CCCC1(CCC)c2cc(C#N)ccc2-c2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 7-nitro-9,9-dipropylfluorene-2-carbonitrile?
The InChIKey is ZKWTUFGUKFHWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-9-20(10-4-2)18-11-14(13-21)5-7-16(18)17-8-6-15(22(23)24)12-19(17)20/h5-8,11-12H,3-4,9-10H2,1-2H3.
What are the key properties of 7-nitro-9,9-dipropylfluorene-2-carbonitrile?
7-nitro-9,9-dipropylfluorene-2-carbonitrile has a molecular weight of 320.39 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-9,9-dipropylfluorene-2-carbonitrile is sourced from PubChem (CID 11023645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).