1-N,2-N-bis[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine

C26H14F6N2 — CID 101028783

IUPAC1-N,2-N-bis[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine
SMILESFC(F)(F)c1ccccc1/N=C1C(=N\c2ccccc2C(F)(F)F)\c2cccc3cccc\1c23
InChIInChI=1S/C26H14F6N2/c27-25(28,29)18-11-1-3-13-20(18)33-23-16-9-5-7-15-8-6-10-17(22(15)16)24(23)34-21-14-4-2-12-19(21)26(30,31)32/h1-14H/b33-23-,34-24+
InChIKeyRCRUROMAWMLISH-HUMGCQOQSA-N
MW468.40 g/mol
LogP8.13
Rot. Bonds2

About 1-N,2-N-bis[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine

1-N,2-N-bis[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine (PubChem CID 101028783) has the molecular formula C26H14F6N2 and a molecular weight of 468.40 g/mol. Its IUPAC name is 1-N,2-N-bis[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-bis[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine
PubChem CID101028783
Molecular FormulaC26H14F6N2
Molecular Weight468.40 g/mol
Exact Mass468.11
IUPAC Name1-N,2-N-bis[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine
SMILESFC(F)(F)c1ccccc1/N=C1C(=N\c2ccccc2C(F)(F)F)\c2cccc3cccc\1c23
InChIInChI=1S/C26H14F6N2/c27-25(28,29)18-11-1-3-13-20(18)33-23-16-9-5-7-15-8-6-10-17(22(15)16)24(23)34-21-14-4-2-12-19(21)26(30,31)32/h1-14H/b33-23-,34-24+
InChIKeyRCRUROMAWMLISH-HUMGCQOQSA-N
XLogP8.13
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.40
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

9-(Phenylimino)fluorene
CID 225986
(3,4-Dihydro-2h-naphthalen-1-ylidene)-(2-trifluoromethyl-phenyl)-amine
CID 2818132
1,1-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzo[e]indole
CID 176223208
2-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-1,1-dimethylbenzo[e]indole
CID 176223501
1-N,2-N-bis[3,5-bis(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine
CID 12985667
Bis(1-naphthylimino)acenaphthene
CID 58251389
1,2-Di(2,6-diisopropylphenylimino)acenaphthene
CID 1818681
Benzenamine, N,N'-1,2-acenaphthylenediylidenebis-
CID 3815380
9-(4-(Trifluoromethyl)phenylimino)fluorene
CID 3454839
6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3H-benzo[g][1]benzazepine
CID 14144845
6,12-Diphenyl-2,8-bis(trifluoromethyl)benzo[c][1,5]benzodiazocine
CID 85849683
9-N,10-N-bis[3-(trifluoromethyl)phenyl]phenanthrene-9,10-diimine
CID 101570228

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine?
The IUPAC name of 1-N,2-N-bis[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine (CID 101028783) is 1-N,2-N-bis[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine.
What is the SMILES notation for 1-N,2-N-bis[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine?
The canonical SMILES for 1-N,2-N-bis[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine is FC(F)(F)c1ccccc1/N=C1C(=N\c2ccccc2C(F)(F)F)\c2cccc3cccc\1c23.
What is the InChIKey of 1-N,2-N-bis[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine?
The InChIKey is RCRUROMAWMLISH-HUMGCQOQSA-N. The full InChI is InChI=1S/C26H14F6N2/c27-25(28,29)18-11-1-3-13-20(18)33-23-16-9-5-7-15-8-6-10-17(22(15)16)24(23)34-21-14-4-2-12-19(21)26(30,31)32/h1-14H/b33-23-,34-24+.
What are the key properties of 1-N,2-N-bis[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine?
1-N,2-N-bis[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine has a molecular weight of 468.40 g/mol, XLogP of 8.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine is sourced from PubChem (CID 101028783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).