2'-nitro-1,1'-spirobi[fluorene]

C25H15NO2 — CID 69450248

IUPAC2'-nitro-1,1'-spirobi[fluorene]
SMILESO=[N+]([O-])C1=CC=C2C(=Cc3ccccc32)C12C=CC=C1C2=Cc2ccccc21
InChIInChI=1S/C25H15NO2/c27-26(28)24-12-11-21-19-9-4-2-7-17(19)15-23(21)25(24)13-5-10-20-18-8-3-1-6-16(18)14-22(20)25/h1-15H
InChIKeyDSQCDLOEHVLGJS-UHFFFAOYSA-N
MW361.40 g/mol
LogP5.68
Rot. Bonds1

About 2'-nitro-1,1'-spirobi[fluorene]

2'-nitro-1,1'-spirobi[fluorene] (PubChem CID 69450248) has the molecular formula C25H15NO2 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2'-nitro-1,1'-spirobi[fluorene].

Molecular Properties

Compound Name2'-nitro-1,1'-spirobi[fluorene]
PubChem CID69450248
Molecular FormulaC25H15NO2
Molecular Weight361.40 g/mol
Exact Mass361.11
IUPAC Name2'-nitro-1,1'-spirobi[fluorene]
SMILESO=[N+]([O-])C1=CC=C2C(=Cc3ccccc32)C12C=CC=C1C2=Cc2ccccc21
InChIInChI=1S/C25H15NO2/c27-26(28)24-12-11-21-19-9-4-2-7-17(19)15-23(21)25(24)13-5-10-20-18-8-3-1-6-16(18)14-22(20)25/h1-15H
InChIKeyDSQCDLOEHVLGJS-UHFFFAOYSA-N
XLogP5.68
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.40
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-bromo-1-(1,1'-spirobi[fluorene]-2'-yl)ethanone
CID 141245627
4-phenyl-6-(2-phenylphenyl)-5-(1,1'-spirobi[fluorene]-2'-yl)triazine
CID 171060145
benzene-1,2-diamine;1,1'-spirobi[fluorene]
CID 121350857
3'-(4-iodophenyl)spiro[fluorene-1,4'-indeno[1,2-c]pyridazine]
CID 141247349
N-(2-dibenzofuran-1-yl-3-phenylphenyl)-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine
CID 166134785
2,2'-dibromo-1,1'-spirobi[fluorene]
CID 68948998
N-(2-dibenzofuran-1-ylphenyl)-3'-phenyl-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine
CID 166133412
1-methyl-1-nitro-10H-acridine
CID 122573038
8'-chlorospiro[fluorene-1,4'-indeno[1,2-b]pyridine]
CID 140863457
2-nitro-N-(2-propan-2-ylphenyl)fluoren-1-imine
CID 139668082
2-iodofluoren-1-one
CID 67932951
5,5,6,6-tetramethyl-1-nitrocyclohexa-1,3-diene
CID 139840069

Frequently Asked Questions

What is the IUPAC name of 2'-nitro-1,1'-spirobi[fluorene]?
The IUPAC name of 2'-nitro-1,1'-spirobi[fluorene] (CID 69450248) is 2'-nitro-1,1'-spirobi[fluorene].
What is the SMILES notation for 2'-nitro-1,1'-spirobi[fluorene]?
The canonical SMILES for 2'-nitro-1,1'-spirobi[fluorene] is O=[N+]([O-])C1=CC=C2C(=Cc3ccccc32)C12C=CC=C1C2=Cc2ccccc21.
What is the InChIKey of 2'-nitro-1,1'-spirobi[fluorene]?
The InChIKey is DSQCDLOEHVLGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15NO2/c27-26(28)24-12-11-21-19-9-4-2-7-17(19)15-23(21)25(24)13-5-10-20-18-8-3-1-6-16(18)14-22(20)25/h1-15H.
What are the key properties of 2'-nitro-1,1'-spirobi[fluorene]?
2'-nitro-1,1'-spirobi[fluorene] has a molecular weight of 361.40 g/mol, XLogP of 5.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-nitro-1,1'-spirobi[fluorene] is sourced from PubChem (CID 69450248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).