(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,3-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,5-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4,5-trifluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile

C120H29F31N20 — CID 161064720

IUPAC(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,3-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,5-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4,5-trifluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile
SMILES[C-]#[N+]/C(C#N)=c1\cc/c(=C(/C#N)c2c(F)c(F)c([N+]#[C-])c(F)c2F)c(-c2cc(F)c(F)c(F)c2)c1.[C-]#[N+]/C(C#N)=c1\cc/c(=C(/C#N)c2c(F)c(F)c([N+]#[C-])c(F)c2F)c(-c2cc(F)ccc2F)c1.[C-]#[N+]/C(C#N)=c1\cc/c(=C(/C#N)c2c(F)c(F)c([N+]#[C-])c(F)c2F)c(-c2ccc(F)c(F)c2)c1.[C-]#[N+]/C(C#N)=c1\cc/c(=C(/C#N)c2c(F)c(F)c([N+]#[C-])c(F)c2F)c(-c2ccc(F)cc2F)c1.[C-]#[N+]/C(C#N)=c1\cc/c(=C(/C#N)c2c(F)c(F)c([N+]#[C-])c(F)c2F)c(-c2cccc(F)c2F)c1
InChIInChI=1S/C24H5F7N4.4C24H6F6N4/c1-34-17(9-33)10-3-4-12(13(5-10)11-6-15(25)19(27)16(26)7-11)14(8-32)18-20(28)22(30)24(35-2)23(31)21(18)29;1-33-18(10-32)12-3-5-13(14(7-12)11-4-6-16(25)17(26)8-11)15(9-31)19-20(27)22(29)24(34-2)23(30)21(19)28;1-33-18(10-32)11-3-5-13(14(7-11)15-8-12(25)4-6-17(15)26)16(9-31)19-20(27)22(29)24(34-2)23(30)21(19)28;1-33-18(10-32)11-3-5-13(15(7-11)14-6-4-12(25)8-17(14)26)16(9-31)19-20(27)22(29)24(34-2)23(30)21(19)28;1-33-17(10-32)11-6-7-12(14(8-11)13-4-3-5-16(25)19(13)26)15(9-31)18-20(27)22(29)24(34-2)23(30)21(18)28/h3-7H;4*3-8H/b14-12+,17-10+;15-13+,18-12+;2*16-13+,18-11+;15-12+,17-11+
InChIKeyUDWCULUXZLZQQL-KKWMOPSDSA-N
MW2339.63 g/mol
LogP25.20
Rot. Bonds10

About (2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,3-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,5-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4,5-trifluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile

(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,3-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,5-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4,5-trifluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile (PubChem CID 161064720) has the molecular formula C120H29F31N20 and a molecular weight of 2339.63 g/mol. Its IUPAC name is (2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,3-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,5-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4,5-trifluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile.

Molecular Properties

Compound Name(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,3-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,5-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4,5-trifluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile
PubChem CID161064720
Molecular FormulaC120H29F31N20
Molecular Weight2339.63 g/mol
Exact Mass2338.24
IUPAC Name(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,3-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,5-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4,5-trifluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile
SMILES[C-]#[N+]/C(C#N)=c1\cc/c(=C(/C#N)c2c(F)c(F)c([N+]#[C-])c(F)c2F)c(-c2cc(F)c(F)c(F)c2)c1.[C-]#[N+]/C(C#N)=c1\cc/c(=C(/C#N)c2c(F)c(F)c([N+]#[C-])c(F)c2F)c(-c2cc(F)ccc2F)c1.[C-]#[N+]/C(C#N)=c1\cc/c(=C(/C#N)c2c(F)c(F)c([N+]#[C-])c(F)c2F)c(-c2ccc(F)c(F)c2)c1.[C-]#[N+]/C(C#N)=c1\cc/c(=C(/C#N)c2c(F)c(F)c([N+]#[C-])c(F)c2F)c(-c2ccc(F)cc2F)c1.[C-]#[N+]/C(C#N)=c1\cc/c(=C(/C#N)c2c(F)c(F)c([N+]#[C-])c(F)c2F)c(-c2cccc(F)c2F)c1
InChIInChI=1S/C24H5F7N4.4C24H6F6N4/c1-34-17(9-33)10-3-4-12(13(5-10)11-6-15(25)19(27)16(26)7-11)14(8-32)18-20(28)22(30)24(35-2)23(31)21(18)29;1-33-18(10-32)12-3-5-13(14(7-12)11-4-6-16(25)17(26)8-11)15(9-31)19-20(27)22(29)24(34-2)23(30)21(19)28;1-33-18(10-32)11-3-5-13(14(7-11)15-8-12(25)4-6-17(15)26)16(9-31)19-20(27)22(29)24(34-2)23(30)21(19)28;1-33-18(10-32)11-3-5-13(15(7-11)14-6-4-12(25)8-17(14)26)16(9-31)19-20(27)22(29)24(34-2)23(30)21(19)28;1-33-17(10-32)11-6-7-12(14(8-11)13-4-3-5-16(25)19(13)26)15(9-31)18-20(27)22(29)24(34-2)23(30)21(18)28/h3-7H;4*3-8H/b14-12+,17-10+;15-13+,18-12+;2*16-13+,18-11+;15-12+,17-11+
InChIKeyUDWCULUXZLZQQL-KKWMOPSDSA-N
XLogP25.20
TPSA281.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms171
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002339.63
LogP ≤ 525.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,3-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,5-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4,5-trifluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,3-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,5-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4,5-trifluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile?
The IUPAC name of (2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,3-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,5-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4,5-trifluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile (CID 161064720) is (2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,3-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,5-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4,5-trifluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile.
What is the SMILES notation for (2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,3-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,5-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4,5-trifluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile?
The canonical SMILES for (2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,3-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,5-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4,5-trifluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile is [C-]#[N+]/C(C#N)=c1\cc/c(=C(/C#N)c2c(F)c(F)c([N+]#[C-])c(F)c2F)c(-c2cc(F)c(F)c(F)c2)c1.[C-]#[N+]/C(C#N)=c1\cc/c(=C(/C#N)c2c(F)c(F)c([N+]#[C-])c(F)c2F)c(-c2cc(F)ccc2F)c1.[C-]#[N+]/C(C#N)=c1\cc/c(=C(/C#N)c2c(F)c(F)c([N+]#[C-])c(F)c2F)c(-c2ccc(F)c(F)c2)c1.[C-]#[N+]/C(C#N)=c1\cc/c(=C(/C#N)c2c(F)c(F)c([N+]#[C-])c(F)c2F)c(-c2ccc(F)cc2F)c1.[C-]#[N+]/C(C#N)=c1\cc/c(=C(/C#N)c2c(F)c(F)c([N+]#[C-])c(F)c2F)c(-c2cccc(F)c2F)c1.
What is the InChIKey of (2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,3-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,5-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4,5-trifluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile?
The InChIKey is UDWCULUXZLZQQL-KKWMOPSDSA-N. The full InChI is InChI=1S/C24H5F7N4.4C24H6F6N4/c1-34-17(9-33)10-3-4-12(13(5-10)11-6-15(25)19(27)16(26)7-11)14(8-32)18-20(28)22(30)24(35-2)23(31)21(18)29;1-33-18(10-32)12-3-5-13(14(7-12)11-4-6-16(25)17(26)8-11)15(9-31)19-20(27)22(29)24(34-2)23(30)21(19)28;1-33-18(10-32)11-3-5-13(14(7-11)15-8-12(25)4-6-17(15)26)16(9-31)19-20(27)22(29)24(34-2)23(30)21(19)28;1-33-18(10-32)11-3-5-13(15(7-11)14-6-4-12(25)8-17(14)26)16(9-31)19-20(27)22(29)24(34-2)23(30)21(19)28;1-33-17(10-32)11-6-7-12(14(8-11)13-4-3-5-16(25)19(13)26)15(9-31)18-20(27)22(29)24(34-2)23(30)21(18)28/h3-7H;4*3-8H/b14-12+,17-10+;15-13+,18-12+;2*16-13+,18-11+;15-12+,17-11+.
What are the key properties of (2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,3-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,5-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4,5-trifluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile?
(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,3-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,5-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4,5-trifluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile has a molecular weight of 2339.63 g/mol, XLogP of 25.20, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,3-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(2,5-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4-difluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(4Z)-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-(3,4,5-trifluorophenyl)cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile is sourced from PubChem (CID 161064720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).