1,2-dinitro-9,9-dipropylfluorene

C19H20N2O4 — CID 141452421

IUPAC1,2-dinitro-9,9-dipropylfluorene
SMILESCCCC1(CCC)c2ccccc2-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c21
InChIInChI=1S/C19H20N2O4/c1-3-11-19(12-4-2)15-8-6-5-7-13(15)14-9-10-16(20(22)23)18(17(14)19)21(24)25/h5-10H,3-4,11-12H2,1-2H3
InChIKeyHVKXWNNTZIUELY-UHFFFAOYSA-N
MW340.38 g/mol
LogP5.37
Rot. Bonds6

About 1,2-dinitro-9,9-dipropylfluorene

1,2-dinitro-9,9-dipropylfluorene (PubChem CID 141452421) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1,2-dinitro-9,9-dipropylfluorene.

Molecular Properties

Compound Name1,2-dinitro-9,9-dipropylfluorene
PubChem CID141452421
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1,2-dinitro-9,9-dipropylfluorene
SMILESCCCC1(CCC)c2ccccc2-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c21
InChIInChI=1S/C19H20N2O4/c1-3-11-19(12-4-2)15-8-6-5-7-13(15)14-9-10-16(20(22)23)18(17(14)19)21(24)25/h5-10H,3-4,11-12H2,1-2H3
InChIKeyHVKXWNNTZIUELY-UHFFFAOYSA-N
XLogP5.37
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

9-methyl-9-(2-nitrophenyl)fluorene
CID 129293080
1-(2-methylphenyl)-2,3,4-trinitrobenzene
CID 141268177
1-methyl-11-nitropentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene
CID 10662997
N-[bis[1-(2-methylphenyl)-7-nitro-9,9-dipropylfluoren-2-yl]methylidene]hydroxylamine
CID 129094210
1-(9,9-dipropylfluoren-1-yl)-2-(2-methylphenyl)ethanone
CID 129094192
2-phenyl-9,9-dipropylfluorene
CID 154114384
9-propyl-9-(3,3,3-trifluoropropyl)fluorene
CID 118371894
1,1,4,4-tetramethyl-5,6-dinitro-2,3-dihydronaphthalene
CID 139709746
9-methyl-9-propylfluorene
CID 13283188
1-(2-ethynylphenyl)-9,9-dihexylfluorene
CID 150376701
9,9-di(docosyl)fluorene
CID 22568526
9,9-dimethyl-4-(2-nitrophenyl)fluorene
CID 175669556

Frequently Asked Questions

What is the IUPAC name of 1,2-dinitro-9,9-dipropylfluorene?
The IUPAC name of 1,2-dinitro-9,9-dipropylfluorene (CID 141452421) is 1,2-dinitro-9,9-dipropylfluorene.
What is the SMILES notation for 1,2-dinitro-9,9-dipropylfluorene?
The canonical SMILES for 1,2-dinitro-9,9-dipropylfluorene is CCCC1(CCC)c2ccccc2-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c21.
What is the InChIKey of 1,2-dinitro-9,9-dipropylfluorene?
The InChIKey is HVKXWNNTZIUELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-11-19(12-4-2)15-8-6-5-7-13(15)14-9-10-16(20(22)23)18(17(14)19)21(24)25/h5-10H,3-4,11-12H2,1-2H3.
What are the key properties of 1,2-dinitro-9,9-dipropylfluorene?
1,2-dinitro-9,9-dipropylfluorene has a molecular weight of 340.38 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dinitro-9,9-dipropylfluorene is sourced from PubChem (CID 141452421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).