2-methyl-4,5,7-trinitro-N-(2-phenoxyphenyl)fluoren-9-imine

C26H16N4O7 — CID 59944936

IUPAC2-methyl-4,5,7-trinitro-N-(2-phenoxyphenyl)fluoren-9-imine
SMILESCc1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=N/c1ccccc1Oc1ccccc1
InChIInChI=1S/C26H16N4O7/c1-15-11-18-24(21(12-15)29(33)34)25-19(13-16(28(31)32)14-22(25)30(35)36)26(18)27-20-9-5-6-10-23(20)37-17-7-3-2-4-8-17/h2-14H,1H3/b27-26+
InChIKeyBREOCGLPKJVDKK-CYYJNZCTSA-N
MW496.44 g/mol
LogP6.66
Rot. Bonds6

About 2-methyl-4,5,7-trinitro-N-(2-phenoxyphenyl)fluoren-9-imine

2-methyl-4,5,7-trinitro-N-(2-phenoxyphenyl)fluoren-9-imine (PubChem CID 59944936) has the molecular formula C26H16N4O7 and a molecular weight of 496.44 g/mol. Its IUPAC name is 2-methyl-4,5,7-trinitro-N-(2-phenoxyphenyl)fluoren-9-imine.

Molecular Properties

Compound Name2-methyl-4,5,7-trinitro-N-(2-phenoxyphenyl)fluoren-9-imine
PubChem CID59944936
Molecular FormulaC26H16N4O7
Molecular Weight496.44 g/mol
Exact Mass496.10
IUPAC Name2-methyl-4,5,7-trinitro-N-(2-phenoxyphenyl)fluoren-9-imine
SMILESCc1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=N/c1ccccc1Oc1ccccc1
InChIInChI=1S/C26H16N4O7/c1-15-11-18-24(21(12-15)29(33)34)25-19(13-16(28(31)32)14-22(25)30(35)36)26(18)27-20-9-5-6-10-23(20)37-17-7-3-2-4-8-17/h2-14H,1H3/b27-26+
InChIKeyBREOCGLPKJVDKK-CYYJNZCTSA-N
XLogP6.66
TPSA151.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.44
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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'}

Analyze 2-methyl-4,5,7-trinitro-N-(2-phenoxyphenyl)fluoren-9-imine 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

N-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine
CID 59920571
N-(2,6-dimethylphenyl)-7-methyl-2,4-dinitrofluoren-9-imine
CID 59944953
N-(2-ethylphenyl)-2,4,7-trinitrofluoren-9-imine
CID 10047609
2,4,7-trinitro-N-(2-phenoxyphenyl)fluoren-1-imine
CID 139670365
1,2-dimethyl-4-nitro-5-phenoxybenzene
CID 12887119
2-ethyl-3,5,7-trinitro-N-(2-propan-2-ylphenyl)fluoren-9-imine
CID 54489624
3-[(7-methyl-2,4-dinitrofluoren-9-ylidene)amino]benzonitrile
CID 59944968
1-(4-methylphenoxy)-2-nitrobenzene
CID 3377310
(3R)-3-[(2,4,5,7-tetranitrofluoren-9-ylidene)amino]oxybutan-2-one
CID 89366286
5-methyl-3-nitro-2-phenoxypyridine
CID 143610713
2-(4-methylphenyl)-1,3,5-trinitrobenzene
CID 22342000
N-methyl-4-nitro-2-phenoxyaniline
CID 149465718

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,7-trinitro-N-(2-phenoxyphenyl)fluoren-9-imine?
The IUPAC name of 2-methyl-4,5,7-trinitro-N-(2-phenoxyphenyl)fluoren-9-imine (CID 59944936) is 2-methyl-4,5,7-trinitro-N-(2-phenoxyphenyl)fluoren-9-imine.
What is the SMILES notation for 2-methyl-4,5,7-trinitro-N-(2-phenoxyphenyl)fluoren-9-imine?
The canonical SMILES for 2-methyl-4,5,7-trinitro-N-(2-phenoxyphenyl)fluoren-9-imine is Cc1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=N/c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-methyl-4,5,7-trinitro-N-(2-phenoxyphenyl)fluoren-9-imine?
The InChIKey is BREOCGLPKJVDKK-CYYJNZCTSA-N. The full InChI is InChI=1S/C26H16N4O7/c1-15-11-18-24(21(12-15)29(33)34)25-19(13-16(28(31)32)14-22(25)30(35)36)26(18)27-20-9-5-6-10-23(20)37-17-7-3-2-4-8-17/h2-14H,1H3/b27-26+.
What are the key properties of 2-methyl-4,5,7-trinitro-N-(2-phenoxyphenyl)fluoren-9-imine?
2-methyl-4,5,7-trinitro-N-(2-phenoxyphenyl)fluoren-9-imine has a molecular weight of 496.44 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,7-trinitro-N-(2-phenoxyphenyl)fluoren-9-imine is sourced from PubChem (CID 59944936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).