2,4,7-trinitro-N-(2-phenoxyphenyl)fluoren-1-imine

C25H14N4O7 — CID 139670365

IUPAC2,4,7-trinitro-N-(2-phenoxyphenyl)fluoren-1-imine
SMILESO=[N+]([O-])C1=CC([N+](=O)[O-])=C2C(=Cc3cc([N+](=O)[O-])ccc32)/C1=N\c1ccccc1Oc1ccccc1
InChIInChI=1S/C25H14N4O7/c30-27(31)16-10-11-18-15(12-16)13-19-24(18)21(28(32)33)14-22(29(34)35)25(19)26-20-8-4-5-9-23(20)36-17-6-2-1-3-7-17/h1-14H/b26-25+
InChIKeyVOQXEEVOUQIBIS-OCEACIFDSA-N
MW482.41 g/mol
LogP5.72
Rot. Bonds6

About 2,4,7-trinitro-N-(2-phenoxyphenyl)fluoren-1-imine

2,4,7-trinitro-N-(2-phenoxyphenyl)fluoren-1-imine (PubChem CID 139670365) has the molecular formula C25H14N4O7 and a molecular weight of 482.41 g/mol. Its IUPAC name is 2,4,7-trinitro-N-(2-phenoxyphenyl)fluoren-1-imine.

Molecular Properties

Compound Name2,4,7-trinitro-N-(2-phenoxyphenyl)fluoren-1-imine
PubChem CID139670365
Molecular FormulaC25H14N4O7
Molecular Weight482.41 g/mol
Exact Mass482.09
IUPAC Name2,4,7-trinitro-N-(2-phenoxyphenyl)fluoren-1-imine
SMILESO=[N+]([O-])C1=CC([N+](=O)[O-])=C2C(=Cc3cc([N+](=O)[O-])ccc32)/C1=N\c1ccccc1Oc1ccccc1
InChIInChI=1S/C25H14N4O7/c30-27(31)16-10-11-18-15(12-16)13-19-24(18)21(28(32)33)14-22(29(34)35)25(19)26-20-8-4-5-9-23(20)36-17-6-2-1-3-7-17/h1-14H/b26-25+
InChIKeyVOQXEEVOUQIBIS-OCEACIFDSA-N
XLogP5.72
TPSA151.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.41
LogP ≤ 55.72
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'}

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Related Compounds

2-methyl-4,5,7-trinitro-N-(2-phenoxyphenyl)fluoren-9-imine
CID 59944936
1-ethenyl-9H-carbazole;2,4,7-trinitrofluoren-1-one
CID 87228474
N-methyl-4-nitro-2-phenoxyaniline
CID 149465718
4-(5-nitro-2-phenylphenoxy)phenol
CID 70376187
[2-((1,2,3,4,5,6-13C6)cyclohexatrienyloxy)-4-nitrophenyl]-phenylmethanone
CID 71751591
1-[2-[2-(2,4-dinitrophenyl)phenoxy]phenyl]-2,4-dinitrobenzene
CID 139793344
2,7-dinitrofluoren-1-one
CID 86586492
N-(4-nitro-2-phenoxyphenyl)sulfamoyl iodide
CID 142985344
2-(4-nitrophenoxy)cyclohepta-2,4,6-trien-1-one
CID 71333814
5-nitro-2-phenoxybenzoyl chloride
CID 21406549
N-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine
CID 59920571
4-nitro-1-phenoxy-2-phenylmethoxybenzene
CID 139434061

Frequently Asked Questions

What is the IUPAC name of 2,4,7-trinitro-N-(2-phenoxyphenyl)fluoren-1-imine?
The IUPAC name of 2,4,7-trinitro-N-(2-phenoxyphenyl)fluoren-1-imine (CID 139670365) is 2,4,7-trinitro-N-(2-phenoxyphenyl)fluoren-1-imine.
What is the SMILES notation for 2,4,7-trinitro-N-(2-phenoxyphenyl)fluoren-1-imine?
The canonical SMILES for 2,4,7-trinitro-N-(2-phenoxyphenyl)fluoren-1-imine is O=[N+]([O-])C1=CC([N+](=O)[O-])=C2C(=Cc3cc([N+](=O)[O-])ccc32)/C1=N\c1ccccc1Oc1ccccc1.
What is the InChIKey of 2,4,7-trinitro-N-(2-phenoxyphenyl)fluoren-1-imine?
The InChIKey is VOQXEEVOUQIBIS-OCEACIFDSA-N. The full InChI is InChI=1S/C25H14N4O7/c30-27(31)16-10-11-18-15(12-16)13-19-24(18)21(28(32)33)14-22(29(34)35)25(19)26-20-8-4-5-9-23(20)36-17-6-2-1-3-7-17/h1-14H/b26-25+.
What are the key properties of 2,4,7-trinitro-N-(2-phenoxyphenyl)fluoren-1-imine?
2,4,7-trinitro-N-(2-phenoxyphenyl)fluoren-1-imine has a molecular weight of 482.41 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trinitro-N-(2-phenoxyphenyl)fluoren-1-imine is sourced from PubChem (CID 139670365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).