2,4,7-trinitro-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]fluoren-9-imine

C25H5F9N4O6 — CID 22899739

IUPAC2,4,7-trinitro-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]fluoren-9-imine
SMILESO=[N+]([O-])c1ccc2c(c1)/C(=N\c1c(F)c(F)c(-c3c(F)c(F)c(F)c(F)c3F)c(F)c1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2
InChIInChI=1S/C25H5F9N4O6/c26-15-13(16(27)20(31)21(32)19(15)30)14-17(28)22(33)25(23(34)18(14)29)35-24-9-3-6(36(39)40)1-2-8(9)12-10(24)4-7(37(41)42)5-11(12)38(43)44/h1-5H/b35-24+
InChIKeyNUVBAHWPWBKYIV-JWHWKPFMSA-N
MW628.32 g/mol
LogP7.48
Rot. Bonds5

About 2,4,7-trinitro-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]fluoren-9-imine

2,4,7-trinitro-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]fluoren-9-imine (PubChem CID 22899739) has the molecular formula C25H5F9N4O6 and a molecular weight of 628.32 g/mol. Its IUPAC name is 2,4,7-trinitro-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]fluoren-9-imine.

Molecular Properties

Compound Name2,4,7-trinitro-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]fluoren-9-imine
PubChem CID22899739
Molecular FormulaC25H5F9N4O6
Molecular Weight628.32 g/mol
Exact Mass628.01
IUPAC Name2,4,7-trinitro-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]fluoren-9-imine
SMILESO=[N+]([O-])c1ccc2c(c1)/C(=N\c1c(F)c(F)c(-c3c(F)c(F)c(F)c(F)c3F)c(F)c1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2
InChIInChI=1S/C25H5F9N4O6/c26-15-13(16(27)20(31)21(32)19(15)30)14-17(28)22(33)25(23(34)18(14)29)35-24-9-3-6(36(39)40)1-2-8(9)12-10(24)4-7(37(41)42)5-11(12)38(43)44/h1-5H/b35-24+
InChIKeyNUVBAHWPWBKYIV-JWHWKPFMSA-N
XLogP7.48
TPSA141.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.32
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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

N-(2,6-dimethylphenyl)-7-methyl-2,4-dinitrofluoren-9-imine
CID 59944953
N-(2-ethylphenyl)-2,4,7-trinitrofluoren-9-imine
CID 10047609
4-chloro-N-[(E)-(2,4,7-trinitrofluoren-9-ylidene)amino]benzamide
CID 6279618
(2R)-2-[(E)-(2,4,7-trinitrofluoren-9-ylidene)amino]oxypropanoic acid
CID 98538931
3-[(7-methyl-2,4-dinitrofluoren-9-ylidene)amino]benzonitrile
CID 59944968
1,3,7-trinitrofluoren-9-one
CID 3117442
N-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine
CID 59920571
(9E)-9-[(4-chlorophenyl)methylidene]-2,4,7-trinitrofluorene
CID 5285985
5,7-dinitro-9-oxofluorene-2-carbonitrile
CID 71329076
1,3,7-trinitrodibenzothiophene 5-oxide
CID 139879502
copper;2,4,7-trinitro-9H-fluorene
CID 174761143
2-[(E)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan
CID 6510728

Frequently Asked Questions

What is the IUPAC name of 2,4,7-trinitro-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]fluoren-9-imine?
The IUPAC name of 2,4,7-trinitro-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]fluoren-9-imine (CID 22899739) is 2,4,7-trinitro-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]fluoren-9-imine.
What is the SMILES notation for 2,4,7-trinitro-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]fluoren-9-imine?
The canonical SMILES for 2,4,7-trinitro-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]fluoren-9-imine is O=[N+]([O-])c1ccc2c(c1)/C(=N\c1c(F)c(F)c(-c3c(F)c(F)c(F)c(F)c3F)c(F)c1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2.
What is the InChIKey of 2,4,7-trinitro-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]fluoren-9-imine?
The InChIKey is NUVBAHWPWBKYIV-JWHWKPFMSA-N. The full InChI is InChI=1S/C25H5F9N4O6/c26-15-13(16(27)20(31)21(32)19(15)30)14-17(28)22(33)25(23(34)18(14)29)35-24-9-3-6(36(39)40)1-2-8(9)12-10(24)4-7(37(41)42)5-11(12)38(43)44/h1-5H/b35-24+.
What are the key properties of 2,4,7-trinitro-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]fluoren-9-imine?
2,4,7-trinitro-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]fluoren-9-imine has a molecular weight of 628.32 g/mol, XLogP of 7.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trinitro-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]fluoren-9-imine is sourced from PubChem (CID 22899739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).