11,11-dimethyl-3-(2-nitrophenyl)benzo[a]fluorene

C25H19NO2 — CID 126621942

IUPAC11,11-dimethyl-3-(2-nitrophenyl)benzo[a]fluorene
SMILESCC1(C)c2ccccc2-c2ccc3cc(-c4ccccc4[N+](=O)[O-])ccc3c21
InChIInChI=1S/C25H19NO2/c1-25(2)22-9-5-3-8-20(22)21-14-12-17-15-16(11-13-19(17)24(21)25)18-7-4-6-10-23(18)26(27)28/h3-15H,1-2H3
InChIKeyYLDBYRGXDFNVRL-UHFFFAOYSA-N
MW365.43 g/mol
LogP6.72
Rot. Bonds2

About 11,11-dimethyl-3-(2-nitrophenyl)benzo[a]fluorene

11,11-dimethyl-3-(2-nitrophenyl)benzo[a]fluorene (PubChem CID 126621942) has the molecular formula C25H19NO2 and a molecular weight of 365.43 g/mol. Its IUPAC name is 11,11-dimethyl-3-(2-nitrophenyl)benzo[a]fluorene.

Molecular Properties

Compound Name11,11-dimethyl-3-(2-nitrophenyl)benzo[a]fluorene
PubChem CID126621942
Molecular FormulaC25H19NO2
Molecular Weight365.43 g/mol
Exact Mass365.14
IUPAC Name11,11-dimethyl-3-(2-nitrophenyl)benzo[a]fluorene
SMILESCC1(C)c2ccccc2-c2ccc3cc(-c4ccccc4[N+](=O)[O-])ccc3c21
InChIInChI=1S/C25H19NO2/c1-25(2)22-9-5-3-8-20(22)21-14-12-17-15-16(11-13-19(17)24(21)25)18-7-4-6-10-23(18)26(27)28/h3-15H,1-2H3
InChIKeyYLDBYRGXDFNVRL-UHFFFAOYSA-N
XLogP6.72
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 56.72
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

9,9-dimethyl-3-(2-nitrophenyl)fluorene
CID 134530448
1-(9,9-dimethylfluoren-2-yl)-5-(2-nitrophenyl)indole
CID 90035742
2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
CID 155465661
2-[4-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465824
2-[6-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]dibenzothiophene
CID 166034445
2-(4-bromo-2-nitrophenyl)-9,9-dimethylfluorene
CID 58501439
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
2-(5-bromo-2-nitrophenyl)-9,9-dimethylfluorene
CID 130288813
11,11-dimethyl-2,9-diphenylindeno[2,1-a]phenanthrene
CID 171742980
11,11-dimethyl-9-naphthalen-2-ylbenzo[a]fluorene
CID 144938907
11,11-dimethylindeno[2,1-a]phenanthrene;ethane
CID 144670680
11,11-dimethylindeno[2,1-a]phenanthrene;ethane
CID 91470717

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-3-(2-nitrophenyl)benzo[a]fluorene?
The IUPAC name of 11,11-dimethyl-3-(2-nitrophenyl)benzo[a]fluorene (CID 126621942) is 11,11-dimethyl-3-(2-nitrophenyl)benzo[a]fluorene.
What is the SMILES notation for 11,11-dimethyl-3-(2-nitrophenyl)benzo[a]fluorene?
The canonical SMILES for 11,11-dimethyl-3-(2-nitrophenyl)benzo[a]fluorene is CC1(C)c2ccccc2-c2ccc3cc(-c4ccccc4[N+](=O)[O-])ccc3c21.
What is the InChIKey of 11,11-dimethyl-3-(2-nitrophenyl)benzo[a]fluorene?
The InChIKey is YLDBYRGXDFNVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO2/c1-25(2)22-9-5-3-8-20(22)21-14-12-17-15-16(11-13-19(17)24(21)25)18-7-4-6-10-23(18)26(27)28/h3-15H,1-2H3.
What are the key properties of 11,11-dimethyl-3-(2-nitrophenyl)benzo[a]fluorene?
11,11-dimethyl-3-(2-nitrophenyl)benzo[a]fluorene has a molecular weight of 365.43 g/mol, XLogP of 6.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-3-(2-nitrophenyl)benzo[a]fluorene is sourced from PubChem (CID 126621942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).