1-(3-nitrophenyl)-9H-fluorene

C19H13NO2 — CID 150413743

IUPAC1-(3-nitrophenyl)-9H-fluorene
SMILESO=[N+]([O-])c1cccc(-c2cccc3c2Cc2ccccc2-3)c1
InChIInChI=1S/C19H13NO2/c21-20(22)15-7-3-6-13(11-15)17-9-4-10-18-16-8-2-1-5-14(16)12-19(17)18/h1-11H,12H2
InChIKeyHGIFBDYOZHWQNS-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.83
Rot. Bonds2

About 1-(3-nitrophenyl)-9H-fluorene

1-(3-nitrophenyl)-9H-fluorene (PubChem CID 150413743) has the molecular formula C19H13NO2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-9H-fluorene.

Molecular Properties

Compound Name1-(3-nitrophenyl)-9H-fluorene
PubChem CID150413743
Molecular FormulaC19H13NO2
Molecular Weight287.32 g/mol
Exact Mass287.09
IUPAC Name1-(3-nitrophenyl)-9H-fluorene
SMILESO=[N+]([O-])c1cccc(-c2cccc3c2Cc2ccccc2-3)c1
InChIInChI=1S/C19H13NO2/c21-20(22)15-7-3-6-13(11-15)17-9-4-10-18-16-8-2-1-5-14(16)12-19(17)18/h1-11H,12H2
InChIKeyHGIFBDYOZHWQNS-UHFFFAOYSA-N
XLogP4.83
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.83
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

5-(3-nitrophenyl)-4H-isoquinoline-1,3-dione
CID 122483605
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
2-methyl-4-(3-nitrophenyl)-2,3-dihydroinden-1-one
CID 22172974
2,11-bis(9H-fluoren-1-yl)triphenylene
CID 59489264
4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene
CID 57053685
3-nitro-9,10-dihydrophenanthrene
CID 614448
1-(3,5-dimethoxyphenyl)-9H-fluorene
CID 152594732
N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluoren-2-amine
CID 60535421
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
3-bromo-2-nitro-1H-indene
CID 170225777

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-9H-fluorene?
The IUPAC name of 1-(3-nitrophenyl)-9H-fluorene (CID 150413743) is 1-(3-nitrophenyl)-9H-fluorene.
What is the SMILES notation for 1-(3-nitrophenyl)-9H-fluorene?
The canonical SMILES for 1-(3-nitrophenyl)-9H-fluorene is O=[N+]([O-])c1cccc(-c2cccc3c2Cc2ccccc2-3)c1.
What is the InChIKey of 1-(3-nitrophenyl)-9H-fluorene?
The InChIKey is HGIFBDYOZHWQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO2/c21-20(22)15-7-3-6-13(11-15)17-9-4-10-18-16-8-2-1-5-14(16)12-19(17)18/h1-11H,12H2.
What are the key properties of 1-(3-nitrophenyl)-9H-fluorene?
1-(3-nitrophenyl)-9H-fluorene has a molecular weight of 287.32 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-9H-fluorene is sourced from PubChem (CID 150413743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).