2-nitro-N-(2-propan-2-ylphenyl)fluoren-1-imine

C22H18N2O2 — CID 139668082

IUPAC2-nitro-N-(2-propan-2-ylphenyl)fluoren-1-imine
SMILESCC(C)c1ccccc1/N=C1\C2=Cc3ccccc3C2=CC=C1[N+](=O)[O-]
InChIInChI=1S/C22H18N2O2/c1-14(2)16-8-5-6-10-20(16)23-22-19-13-15-7-3-4-9-17(15)18(19)11-12-21(22)24(25)26/h3-14H,1-2H3/b23-22+
InChIKeyJWGGKHOQRRSZCJ-GHVJWSGMSA-N
MW342.40 g/mol
LogP5.54
Rot. Bonds3

About 2-nitro-N-(2-propan-2-ylphenyl)fluoren-1-imine

2-nitro-N-(2-propan-2-ylphenyl)fluoren-1-imine (PubChem CID 139668082) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-nitro-N-(2-propan-2-ylphenyl)fluoren-1-imine.

Molecular Properties

Compound Name2-nitro-N-(2-propan-2-ylphenyl)fluoren-1-imine
PubChem CID139668082
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-nitro-N-(2-propan-2-ylphenyl)fluoren-1-imine
SMILESCC(C)c1ccccc1/N=C1\C2=Cc3ccccc3C2=CC=C1[N+](=O)[O-]
InChIInChI=1S/C22H18N2O2/c1-14(2)16-8-5-6-10-20(16)23-22-19-13-15-7-3-4-9-17(15)18(19)11-12-21(22)24(25)26/h3-14H,1-2H3/b23-22+
InChIKeyJWGGKHOQRRSZCJ-GHVJWSGMSA-N
XLogP5.54
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-3,5,7-trinitro-N-(2-propan-2-ylphenyl)fluoren-9-imine
CID 54489624
3-nitro-2-(2-propan-2-ylphenyl)phenol
CID 150628369
2,7-dinitrofluoren-1-one
CID 86586492
2,6-dinitrofluoren-1-one
CID 88650955
1,2-dinitro-3-propan-2-ylbenzene
CID 14670542
1-methyl-2-(1-nitroethyl)benzene
CID 15573827
2-fluoro-1-nitro-3-propan-2-ylbenzene
CID 59860466
anthracene-9,10-dione;1,2-dinitrobenzene
CID 174782436
1-(2-nitrophenyl)propane-1,2-diol
CID 10943439
1-chloro-2-(1-nitroethyl)benzene
CID 21252639
2-nitro-4-phenyl-N-(2-propan-2-ylphenyl)aniline
CID 86729144
[2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite
CID 142925487

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(2-propan-2-ylphenyl)fluoren-1-imine?
The IUPAC name of 2-nitro-N-(2-propan-2-ylphenyl)fluoren-1-imine (CID 139668082) is 2-nitro-N-(2-propan-2-ylphenyl)fluoren-1-imine.
What is the SMILES notation for 2-nitro-N-(2-propan-2-ylphenyl)fluoren-1-imine?
The canonical SMILES for 2-nitro-N-(2-propan-2-ylphenyl)fluoren-1-imine is CC(C)c1ccccc1/N=C1\C2=Cc3ccccc3C2=CC=C1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-(2-propan-2-ylphenyl)fluoren-1-imine?
The InChIKey is JWGGKHOQRRSZCJ-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-14(2)16-8-5-6-10-20(16)23-22-19-13-15-7-3-4-9-17(15)18(19)11-12-21(22)24(25)26/h3-14H,1-2H3/b23-22+.
What are the key properties of 2-nitro-N-(2-propan-2-ylphenyl)fluoren-1-imine?
2-nitro-N-(2-propan-2-ylphenyl)fluoren-1-imine has a molecular weight of 342.40 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(2-propan-2-ylphenyl)fluoren-1-imine is sourced from PubChem (CID 139668082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).