3-nitro-9,10-dihydrophenanthrene

C14H11NO2 — CID 614448

IUPAC3-nitro-9,10-dihydrophenanthrene
SMILESO=[N+]([O-])c1ccc2c(c1)-c1ccccc1CC2
InChIInChI=1S/C14H11NO2/c16-15(17)12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-4,7-9H,5-6H2
InChIKeyMNKKMDDRNPXSSA-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.36
Rot. Bonds1

About 3-nitro-9,10-dihydrophenanthrene

3-nitro-9,10-dihydrophenanthrene (PubChem CID 614448) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-nitro-9,10-dihydrophenanthrene.

Molecular Properties

Compound Name3-nitro-9,10-dihydrophenanthrene
PubChem CID614448
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name3-nitro-9,10-dihydrophenanthrene
SMILESO=[N+]([O-])c1ccc2c(c1)-c1ccccc1CC2
InChIInChI=1S/C14H11NO2/c16-15(17)12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-4,7-9H,5-6H2
InChIKeyMNKKMDDRNPXSSA-UHFFFAOYSA-N
XLogP3.36
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.36
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

2,6-dinitro-9H-fluorene
CID 3582885
8-nitro-5,11-dihydrobenzo[c][1]benzazepin-6-one
CID 20813911
3,7-dinitro-9,10-dihydrophenanthren-2-amine
CID 625211
(2Z)-2-(dimethylaminomethylidene)-7-nitro-3,4-dihydronaphthalen-1-one
CID 3004938
2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione
CID 3874335
(2E)-2-(dimethylaminomethylidene)-7-nitro-3,4-dihydronaphthalen-1-one
CID 3033794
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
9,10-dihydrophenanthrene;methane
CID 174728506
1-(3-nitrophenyl)-9H-fluorene
CID 150413743
4-nitro-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaene
CID 59490567
2-[(2S)-5-nitro-2,3-dihydro-1H-inden-2-yl]isoindole-1,3-dione
CID 95608266
2-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)acetonitrile
CID 57116290

Frequently Asked Questions

What is the IUPAC name of 3-nitro-9,10-dihydrophenanthrene?
The IUPAC name of 3-nitro-9,10-dihydrophenanthrene (CID 614448) is 3-nitro-9,10-dihydrophenanthrene.
What is the SMILES notation for 3-nitro-9,10-dihydrophenanthrene?
The canonical SMILES for 3-nitro-9,10-dihydrophenanthrene is O=[N+]([O-])c1ccc2c(c1)-c1ccccc1CC2.
What is the InChIKey of 3-nitro-9,10-dihydrophenanthrene?
The InChIKey is MNKKMDDRNPXSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-15(17)12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-4,7-9H,5-6H2.
What are the key properties of 3-nitro-9,10-dihydrophenanthrene?
3-nitro-9,10-dihydrophenanthrene has a molecular weight of 225.25 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-9,10-dihydrophenanthrene is sourced from PubChem (CID 614448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).