N-(anthracen-9-ylmethylideneamino)fluoren-9-imine

C28H18N2 — CID 3869417

IUPACN-(anthracen-9-ylmethylideneamino)fluoren-9-imine
SMILESC(=NN=C1c2ccccc2-c2ccccc21)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C28H18N2/c1-3-11-21-19(9-1)17-20-10-2-4-12-22(20)27(21)18-29-30-28-25-15-7-5-13-23(25)24-14-6-8-16-26(24)28/h1-18H
InChIKeyFWUMECHZWZPFCL-UHFFFAOYSA-N
MW382.47 g/mol
LogP6.84
Rot. Bonds2

About N-(anthracen-9-ylmethylideneamino)fluoren-9-imine

N-(anthracen-9-ylmethylideneamino)fluoren-9-imine (PubChem CID 3869417) has the molecular formula C28H18N2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-(anthracen-9-ylmethylideneamino)fluoren-9-imine.

Molecular Properties

Compound NameN-(anthracen-9-ylmethylideneamino)fluoren-9-imine
PubChem CID3869417
Molecular FormulaC28H18N2
Molecular Weight382.47 g/mol
Exact Mass382.15
IUPAC NameN-(anthracen-9-ylmethylideneamino)fluoren-9-imine
SMILESC(=NN=C1c2ccccc2-c2ccccc21)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C28H18N2/c1-3-11-21-19(9-1)17-20-10-2-4-12-22(20)27(21)18-29-30-28-25-15-7-5-13-23(25)24-14-6-8-16-26(24)28/h1-18H
InChIKeyFWUMECHZWZPFCL-UHFFFAOYSA-N
XLogP6.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-(anthracen-9-ylmethylidene)hydroxylamine
CID 5355154
3-[(E)-[(E)-anthracen-9-ylmethylidenehydrazinylidene]methyl]naphthalen-2-ol
CID 135549556
2-(anthracen-9-ylmethylideneamino)isoindole-1,3-dione
CID 2305885
1-anthracen-9-yl-N-(1,2,4-triazol-4-yl)methanimine
CID 760728
(E)-N-[(E)-(4-chlorophenyl)methylideneamino]fluoren-9-imine
CID 6907399
1-anthracen-9-yl-N-(3-chlorophenyl)methanimine
CID 5218949
5-[(Z)-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 135548542
1-anthracen-9-yl-N-naphthalen-2-ylmethanimine
CID 13497417
(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
CID 135750886
(2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135916192
1-anthracen-9-yl-N-(3,5-dichlorophenyl)methanimine
CID 4162835
(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one
CID 135852394

Frequently Asked Questions

What is the IUPAC name of N-(anthracen-9-ylmethylideneamino)fluoren-9-imine?
The IUPAC name of N-(anthracen-9-ylmethylideneamino)fluoren-9-imine (CID 3869417) is N-(anthracen-9-ylmethylideneamino)fluoren-9-imine.
What is the SMILES notation for N-(anthracen-9-ylmethylideneamino)fluoren-9-imine?
The canonical SMILES for N-(anthracen-9-ylmethylideneamino)fluoren-9-imine is C(=NN=C1c2ccccc2-c2ccccc21)c1c2ccccc2cc2ccccc12.
What is the InChIKey of N-(anthracen-9-ylmethylideneamino)fluoren-9-imine?
The InChIKey is FWUMECHZWZPFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2/c1-3-11-21-19(9-1)17-20-10-2-4-12-22(20)27(21)18-29-30-28-25-15-7-5-13-23(25)24-14-6-8-16-26(24)28/h1-18H.
What are the key properties of N-(anthracen-9-ylmethylideneamino)fluoren-9-imine?
N-(anthracen-9-ylmethylideneamino)fluoren-9-imine has a molecular weight of 382.47 g/mol, XLogP of 6.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(anthracen-9-ylmethylideneamino)fluoren-9-imine is sourced from PubChem (CID 3869417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).