9,9-dimethyl-3-(2-nitrophenyl)fluorene

C21H17NO2 — CID 134530448

IUPAC9,9-dimethyl-3-(2-nitrophenyl)fluorene
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3[N+](=O)[O-])ccc21
InChIInChI=1S/C21H17NO2/c1-21(2)18-9-5-3-8-16(18)17-13-14(11-12-19(17)21)15-7-4-6-10-20(15)22(23)24/h3-13H,1-2H3
InChIKeyOELIYBQPRXKPHG-UHFFFAOYSA-N
MW315.37 g/mol
LogP5.57
Rot. Bonds2

About 9,9-dimethyl-3-(2-nitrophenyl)fluorene

9,9-dimethyl-3-(2-nitrophenyl)fluorene (PubChem CID 134530448) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 9,9-dimethyl-3-(2-nitrophenyl)fluorene.

Molecular Properties

Compound Name9,9-dimethyl-3-(2-nitrophenyl)fluorene
PubChem CID134530448
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name9,9-dimethyl-3-(2-nitrophenyl)fluorene
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3[N+](=O)[O-])ccc21
InChIInChI=1S/C21H17NO2/c1-21(2)18-9-5-3-8-16(18)17-13-14(11-12-19(17)21)15-7-4-6-10-20(15)22(23)24/h3-13H,1-2H3
InChIKeyOELIYBQPRXKPHG-UHFFFAOYSA-N
XLogP5.57
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.37
LogP ≤ 55.57
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'}

Analyze 9,9-dimethyl-3-(2-nitrophenyl)fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-2-nitrophenyl)-9,9-dimethylfluorene
CID 58501439
11,11-dimethyl-3-(2-nitrophenyl)benzo[a]fluorene
CID 126621942
2-(5-bromo-2-nitrophenyl)-9,9-dimethylfluorene
CID 130288813
1-(9,9-dimethylfluoren-2-yl)-5-(2-nitrophenyl)indole
CID 90035742
3-[3-(2-nitrophenyl)-9-phenylfluoren-9-yl]pyridine
CID 135176920
9,9-dimethyl-4-(2-nitrophenyl)fluorene
CID 175669556
1,3-dimethyl-5-(2-nitrophenyl)benzene
CID 102025373
9-methyl-9-(2-nitrophenyl)fluorene
CID 129293080
1-bromo-9,9-dinaphthalen-1-yl-6-(2-nitrophenyl)fluorene
CID 169023430
1-(3-methylphenyl)-2-nitrobenzene
CID 12592509
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
1-N,3-N,5-N-tris(9,9-dimethylfluoren-3-yl)-2,4,6-trinitrobenzene-1,3,5-triamine
CID 156756835

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-3-(2-nitrophenyl)fluorene?
The IUPAC name of 9,9-dimethyl-3-(2-nitrophenyl)fluorene (CID 134530448) is 9,9-dimethyl-3-(2-nitrophenyl)fluorene.
What is the SMILES notation for 9,9-dimethyl-3-(2-nitrophenyl)fluorene?
The canonical SMILES for 9,9-dimethyl-3-(2-nitrophenyl)fluorene is CC1(C)c2ccccc2-c2cc(-c3ccccc3[N+](=O)[O-])ccc21.
What is the InChIKey of 9,9-dimethyl-3-(2-nitrophenyl)fluorene?
The InChIKey is OELIYBQPRXKPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-21(2)18-9-5-3-8-16(18)17-13-14(11-12-19(17)21)15-7-4-6-10-20(15)22(23)24/h3-13H,1-2H3.
What are the key properties of 9,9-dimethyl-3-(2-nitrophenyl)fluorene?
9,9-dimethyl-3-(2-nitrophenyl)fluorene has a molecular weight of 315.37 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-3-(2-nitrophenyl)fluorene is sourced from PubChem (CID 134530448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).