1-N,2-N-bis[4-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine

C26H14F6N2 — CID 10930458

IUPAC1-N,2-N-bis[4-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine
SMILESFC(F)(F)c1ccc(/N=C2C(=N\c3ccc(C(F)(F)F)cc3)\c3cccc4cccc\2c34)cc1
InChIInChI=1S/C26H14F6N2/c27-25(28,29)16-7-11-18(12-8-16)33-23-20-5-1-3-15-4-2-6-21(22(15)20)24(23)34-19-13-9-17(10-14-19)26(30,31)32/h1-14H/b33-23-,34-24+
InChIKeyACGAFGGWTSOXFC-HUMGCQOQSA-N
MW468.40 g/mol
LogP8.13
Rot. Bonds2

About 1-N,2-N-bis[4-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine

1-N,2-N-bis[4-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine (PubChem CID 10930458) has the molecular formula C26H14F6N2 and a molecular weight of 468.40 g/mol. Its IUPAC name is 1-N,2-N-bis[4-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-bis[4-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine
PubChem CID10930458
Molecular FormulaC26H14F6N2
Molecular Weight468.40 g/mol
Exact Mass468.11
IUPAC Name1-N,2-N-bis[4-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine
SMILESFC(F)(F)c1ccc(/N=C2C(=N\c3ccc(C(F)(F)F)cc3)\c3cccc4cccc\2c34)cc1
InChIInChI=1S/C26H14F6N2/c27-25(28,29)16-7-11-18(12-8-16)33-23-20-5-1-3-15-4-2-6-21(22(15)20)24(23)34-19-13-9-17(10-14-19)26(30,31)32/h1-14H/b33-23-,34-24+
InChIKeyACGAFGGWTSOXFC-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

2-N-[2,6-di(propan-2-yl)phenyl]-1-N-[4-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine
CID 90086005
1-N-[3,5-bis(trifluoromethyl)phenyl]-2-N-(2,6-dimethylphenyl)acenaphthylene-1,2-diimine
CID 102526185
2-N-[3,5-bis(trifluoromethyl)phenyl]-1-N-(3,5-dimethylphenyl)acenaphthylene-1,2-diimine
CID 24862441
carbanide;1-N,2-N-diphenylacenaphthylene-1,2-diimine;nickel
CID 59475428
1-N,2-N-bis(4-tert-butyl-2,6-dimethylphenyl)acenaphthylene-1,2-diimine
CID 20789308
4-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]-N,N-dimethylaniline
CID 90084884
4,10-bis[4-(trifluoromethyl)phenyl]pyrene
CID 122550344
2-(trifluoromethyl)benzo[c]phenanthrene
CID 44623566
3-(trifluoromethyl)phenalen-1-one
CID 1040288
1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 118826542
phenyl-bis[4-(trifluoromethyl)phenyl]sulfanium bromide
CID 86043947
1-N,2-N-bis(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine;bromonickel;carbanide
CID 20789300

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[4-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine?
The IUPAC name of 1-N,2-N-bis[4-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine (CID 10930458) is 1-N,2-N-bis[4-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine.
What is the SMILES notation for 1-N,2-N-bis[4-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine?
The canonical SMILES for 1-N,2-N-bis[4-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine is FC(F)(F)c1ccc(/N=C2C(=N\c3ccc(C(F)(F)F)cc3)\c3cccc4cccc\2c34)cc1.
What is the InChIKey of 1-N,2-N-bis[4-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine?
The InChIKey is ACGAFGGWTSOXFC-HUMGCQOQSA-N. The full InChI is InChI=1S/C26H14F6N2/c27-25(28,29)16-7-11-18(12-8-16)33-23-20-5-1-3-15-4-2-6-21(22(15)20)24(23)34-19-13-9-17(10-14-19)26(30,31)32/h1-14H/b33-23-,34-24+.
What are the key properties of 1-N,2-N-bis[4-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine?
1-N,2-N-bis[4-(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[4-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine is sourced from PubChem (CID 10930458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).