(2Z)-2-[(4Z)-2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[[3,5-bis(trifluoromethyl)phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]-2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile

C42H14F24N2 — CID 118121407

IUPAC(2Z)-2-[(4Z)-2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[[3,5-bis(trifluoromethyl)phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]-2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile
SMILESN#C/C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=c1/cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)/c(=C(\C#N)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C42H14F24N2/c43-35(44,45)21-1-17(2-22(9-21)36(46,47)48)29-13-32(34(16-68)20-7-27(41(61,62)63)12-28(8-20)42(64,65)66)30(18-3-23(37(49,50)51)10-24(4-18)38(52,53)54)14-31(29)33(15-67)19-5-25(39(55,56)57)11-26(6-19)40(58,59)60/h1-14H/b33-31+,34-32+
InChIKeyDQBVWRHZBWZPBD-FMWAKIAMSA-N
MW1002.54 g/mol
LogP14.62
Rot. Bonds4

About (2Z)-2-[(4Z)-2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[[3,5-bis(trifluoromethyl)phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]-2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile

(2Z)-2-[(4Z)-2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[[3,5-bis(trifluoromethyl)phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]-2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile (PubChem CID 118121407) has the molecular formula C42H14F24N2 and a molecular weight of 1002.54 g/mol. Its IUPAC name is (2Z)-2-[(4Z)-2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[[3,5-bis(trifluoromethyl)phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]-2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile.

Molecular Properties

Compound Name(2Z)-2-[(4Z)-2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[[3,5-bis(trifluoromethyl)phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]-2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile
PubChem CID118121407
Molecular FormulaC42H14F24N2
Molecular Weight1002.54 g/mol
Exact Mass1002.08
IUPAC Name(2Z)-2-[(4Z)-2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[[3,5-bis(trifluoromethyl)phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]-2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile
SMILESN#C/C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=c1/cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)/c(=C(\C#N)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C42H14F24N2/c43-35(44,45)21-1-17(2-22(9-21)36(46,47)48)29-13-32(34(16-68)20-7-27(41(61,62)63)12-28(8-20)42(64,65)66)30(18-3-23(37(49,50)51)10-24(4-18)38(52,53)54)14-31(29)33(15-67)19-5-25(39(55,56)57)11-26(6-19)40(58,59)60/h1-14H/b33-31+,34-32+
InChIKeyDQBVWRHZBWZPBD-FMWAKIAMSA-N
XLogP14.62
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001002.54
LogP ≤ 514.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2Z)-2-[(4Z)-2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[[3,5-bis(trifluoromethyl)phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]-2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(Z)-[(4Z)-2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[cyano-(2-cyanophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-cyanomethyl]benzonitrile
CID 118121433
(2Z)-2-[(4E)-4-[cyano(isocyano)methylidene]-2,5-bis[3-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile
CID 159206935
4-[(3Z,6Z)-3-[[3,5-bis(trifluoromethyl)phenyl]-isocyanomethylidene]-6-[cyano-[3-methyl-5-(trifluoromethyl)phenyl]methylidene]-4-(3-fluoro-4-isocyanophenyl)cyclohexa-1,4-dien-1-yl]-2-fluorobenzonitrile
CID 158039361
4-[(E)-[(3Z)-2-[[3,5-bis(trifluoromethyl)phenyl]-cyanomethylidene]-3-[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]-cyanomethyl]-2,3,5,6-tetrafluorobenzonitrile
CID 162523543
(2Z)-2-[(4Z)-2-[3,5-bis(trifluoromethyl)phenyl]-4-[[3,5-bis(trifluoromethyl)phenyl]-isocyanomethylidene]-5-[3-methyl-5-(trifluoromethyl)phenyl]cyclohexa-2,5-dien-1-ylidene]-2-[3-methyl-5-(trifluoromethyl)phenyl]acetonitrile;4-[(Z)-[(4Z)-5-[3,5-bis(trifluoromethyl)phenyl]-4-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-2-[3-methyl-5-(trifluoromethyl)phenyl]cyclohexa-2,5-dien-1-ylidene]-isocyanomethyl]-2,3,5,6-tetrafluorobenzonitrile;(2Z)-2-[(4Z)-2-[3,5-bis(trifluoromethyl)phenyl]-4-[isocyano-[2-methyl-4,6-bis(trifluoromethyl)phenyl]methylidene]-5-[3-methyl-5-(trifluoromethyl)phenyl]cyclohexa-2,5-dien-1-ylidene]-2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]acetonitrile;(2Z)-2-[(4Z)-2-[3,5-bis(trifluoromethyl)phenyl]-4-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[3-methyl-5-(trifluoromethyl)phenyl]cyclohexa-2,5-dien-1-ylidene]-2-(2,3,4,5,6-pentafluorophenyl)acetonitrile
CID 158557906
(2E)-2-[(4E)-4-(1-cyano-2,2,2-trifluoroethylidene)-2,5-bis[4-(trifluoromethyl)phenyl]cyclohexa-2,5-dien-1-ylidene]-3,3,3-trifluoropropanenitrile
CID 118121424
5-[(Z)-cyano-[(4Z)-4-[cyano-(3,5-dicyanophenyl)methylidene]-2,5-bis(4-cyanophenyl)cyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-dicarbonitrile
CID 118121549
(3Z,6E)-3,6-bis[[2,6-bis(trifluoromethyl)-4-pyridinyl]-cyanomethylidene]cyclohexa-1,4-diene-1,2-dicarbonitrile
CID 176690171
3-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzoic acid
CID 87430681
bis[3,5-bis(trifluoromethyl)phenyl]methylidenezirconium(2+)
CID 87101400
4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
CID 11381476
5-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-1,2-dicarbonitrile
CID 169121716

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4Z)-2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[[3,5-bis(trifluoromethyl)phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]-2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile?
The IUPAC name of (2Z)-2-[(4Z)-2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[[3,5-bis(trifluoromethyl)phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]-2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile (CID 118121407) is (2Z)-2-[(4Z)-2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[[3,5-bis(trifluoromethyl)phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]-2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile.
What is the SMILES notation for (2Z)-2-[(4Z)-2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[[3,5-bis(trifluoromethyl)phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]-2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile?
The canonical SMILES for (2Z)-2-[(4Z)-2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[[3,5-bis(trifluoromethyl)phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]-2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile is N#C/C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=c1/cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)/c(=C(\C#N)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of (2Z)-2-[(4Z)-2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[[3,5-bis(trifluoromethyl)phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]-2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile?
The InChIKey is DQBVWRHZBWZPBD-FMWAKIAMSA-N. The full InChI is InChI=1S/C42H14F24N2/c43-35(44,45)21-1-17(2-22(9-21)36(46,47)48)29-13-32(34(16-68)20-7-27(41(61,62)63)12-28(8-20)42(64,65)66)30(18-3-23(37(49,50)51)10-24(4-18)38(52,53)54)14-31(29)33(15-67)19-5-25(39(55,56)57)11-26(6-19)40(58,59)60/h1-14H/b33-31+,34-32+.
What are the key properties of (2Z)-2-[(4Z)-2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[[3,5-bis(trifluoromethyl)phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]-2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile?
(2Z)-2-[(4Z)-2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[[3,5-bis(trifluoromethyl)phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]-2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile has a molecular weight of 1002.54 g/mol, XLogP of 14.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4Z)-2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-[[3,5-bis(trifluoromethyl)phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]-2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile is sourced from PubChem (CID 118121407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).