(E)-2,3-bis[3,5-bis(trifluoromethyl)phenyl]-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-2,3-bis(4-fluorophenyl)-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2,3-bis[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-3-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine

C116H52F26N20 — CID 172943629

IUPAC(E)-2,3-bis[3,5-bis(trifluoromethyl)phenyl]-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-2,3-bis(4-fluorophenyl)-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2,3-bis[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-3-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine
SMILES[C-]#[N+]/N=C1\c2ccccc2-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc21.[C-]#[N+]/N=C1\c2ccccc2-c2nc(-c3ccc(C(F)(F)F)cc3)cnc21.[C-]#[N+]/N=C1\c2ccccc2-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc21.[C-]#[N+]/N=C1\c2ccccc2-c2nc(-c3cccc(C(F)(F)F)c3)c(-c3cccc(C(F)(F)F)c3)nc21.[C-]#[N+]/N=C1\c2ccccc2-c2ncc(-c3ccc(C(F)(F)F)cc3)nc21
InChIInChI=1S/C28H10F12N4.C26H12F6N4.C24H12F2N4.2C19H9F3N4/c1-41-44-23-19-5-3-2-4-18(19)22-24(23)43-21(13-8-16(27(35,36)37)11-17(9-13)28(38,39)40)20(42-22)12-6-14(25(29,30)31)10-15(7-12)26(32,33)34;1-33-36-23-19-11-3-2-10-18(19)22-24(23)35-21(15-7-5-9-17(13-15)26(30,31)32)20(34-22)14-6-4-8-16(12-14)25(27,28)29;1-27-30-23-19-5-3-2-4-18(19)22-24(23)29-21(15-8-12-17(26)13-9-15)20(28-22)14-6-10-16(25)11-7-14;1-23-26-17-14-5-3-2-4-13(14)16-18(17)24-10-15(25-16)11-6-8-12(9-7-11)19(20,21)22;1-23-26-17-14-5-3-2-4-13(14)16-18(17)25-15(10-24-16)11-6-8-12(9-7-11)19(20,21)22/h2-11H;2-13H;2-13H;2*2-10H/b44-23+;36-23+;30-23+;2*26-17+
InChIKeyALLGWISRWJSLQU-KFGVMYHYSA-N
MW2219.78 g/mol
LogP32.41
Rot. Bonds8

About (E)-2,3-bis[3,5-bis(trifluoromethyl)phenyl]-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-2,3-bis(4-fluorophenyl)-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2,3-bis[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-3-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine

(E)-2,3-bis[3,5-bis(trifluoromethyl)phenyl]-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-2,3-bis(4-fluorophenyl)-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2,3-bis[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-3-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine (PubChem CID 172943629) has the molecular formula C116H52F26N20 and a molecular weight of 2219.78 g/mol. Its IUPAC name is (E)-2,3-bis[3,5-bis(trifluoromethyl)phenyl]-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-2,3-bis(4-fluorophenyl)-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2,3-bis[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-3-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine.

Molecular Properties

Compound Name(E)-2,3-bis[3,5-bis(trifluoromethyl)phenyl]-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-2,3-bis(4-fluorophenyl)-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2,3-bis[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-3-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine
PubChem CID172943629
Molecular FormulaC116H52F26N20
Molecular Weight2219.78 g/mol
Exact Mass2218.43
IUPAC Name(E)-2,3-bis[3,5-bis(trifluoromethyl)phenyl]-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-2,3-bis(4-fluorophenyl)-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2,3-bis[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-3-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine
SMILES[C-]#[N+]/N=C1\c2ccccc2-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc21.[C-]#[N+]/N=C1\c2ccccc2-c2nc(-c3ccc(C(F)(F)F)cc3)cnc21.[C-]#[N+]/N=C1\c2ccccc2-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc21.[C-]#[N+]/N=C1\c2ccccc2-c2nc(-c3cccc(C(F)(F)F)c3)c(-c3cccc(C(F)(F)F)c3)nc21.[C-]#[N+]/N=C1\c2ccccc2-c2ncc(-c3ccc(C(F)(F)F)cc3)nc21
InChIInChI=1S/C28H10F12N4.C26H12F6N4.C24H12F2N4.2C19H9F3N4/c1-41-44-23-19-5-3-2-4-18(19)22-24(23)43-21(13-8-16(27(35,36)37)11-17(9-13)28(38,39)40)20(42-22)12-6-14(25(29,30)31)10-15(7-12)26(32,33)34;1-33-36-23-19-11-3-2-10-18(19)22-24(23)35-21(15-7-5-9-17(13-15)26(30,31)32)20(34-22)14-6-4-8-16(12-14)25(27,28)29;1-27-30-23-19-5-3-2-4-18(19)22-24(23)29-21(15-8-12-17(26)13-9-15)20(28-22)14-6-10-16(25)11-7-14;1-23-26-17-14-5-3-2-4-13(14)16-18(17)24-10-15(25-16)11-6-8-12(9-7-11)19(20,21)22;1-23-26-17-14-5-3-2-4-13(14)16-18(17)25-15(10-24-16)11-6-8-12(9-7-11)19(20,21)22/h2-11H;2-13H;2-13H;2*2-10H/b44-23+;36-23+;30-23+;2*26-17+
InChIKeyALLGWISRWJSLQU-KFGVMYHYSA-N
XLogP32.41
TPSA212.50 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002219.78
LogP ≤ 532.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze (E)-2,3-bis[3,5-bis(trifluoromethyl)phenyl]-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-2,3-bis(4-fluorophenyl)-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2,3-bis[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-3-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine with MolForge

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Related Compounds

(E)-3-[3,5-bis(trifluoromethyl)phenyl]-N-isocyanoindeno[1,2-b]pyrazin-9-imine;4-[(9E)-9-isocyanoiminoindeno[1,2-b]pyrazin-2-yl]benzonitrile;4-[(9E)-9-isocyanoiminoindeno[1,2-b]pyrazin-3-yl]benzonitrile;(E)-N-isocyano-7-[4-(trifluoromethyl)phenyl]indeno[1,2-b]quinoxalin-11-imine;(E)-N-isocyano-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]quinoxalin-11-imine
CID 172982903
2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine
CID 59806456
2-(2-fluorophenyl)-6-[3-(2-fluorophenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;2-(3-fluorophenyl)-6-[3-(3-fluorophenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;2-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;3-(2-fluorophenyl)-6-[3-(2-fluorophenyl)-2-phenylquinoxalin-6-yl]-2-phenylquinoxaline;3-(3-fluorophenyl)-6-[3-(3-fluorophenyl)-2-phenylquinoxalin-6-yl]-2-phenylquinoxaline;3-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-2-phenylquinoxalin-6-yl]-2-phenylquinoxaline;2-phenyl-6-[3-phenyl-2-[3-(trifluoromethyl)phenyl]quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]quinoxaline;2-phenyl-6-[3-phenyl-2-[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline
CID 158181187
4-[2-(4-cyanophenyl)-9-isocyanoiminoindeno[1,2-b]pyrazin-3-yl]benzonitrile
CID 72540011
[2,3,7,8-tetrakis[3,5-bis(trifluoromethyl)phenyl]-5-isocyanoiminopyrazino[2,3-g]quinoxalin-10-ylidene]cyanamide
CID 59408424
10-N,20-N-diisocyano-7-[3-(trifluoromethyl)phenyl]-17-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-diimine
CID 58012958
5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine
CID 134617505
6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091792
2-(4-fluorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine
CID 11725302
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
(Z)-N-oxido-8-(trifluoromethyl)indeno[1,2-b]quinoxalin-11-imine
CID 155554480
2,3-diphenyl-5-(4-phenylphenyl)pyrazine
CID 58991364

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-bis[3,5-bis(trifluoromethyl)phenyl]-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-2,3-bis(4-fluorophenyl)-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2,3-bis[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-3-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine?
The IUPAC name of (E)-2,3-bis[3,5-bis(trifluoromethyl)phenyl]-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-2,3-bis(4-fluorophenyl)-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2,3-bis[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-3-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine (CID 172943629) is (E)-2,3-bis[3,5-bis(trifluoromethyl)phenyl]-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-2,3-bis(4-fluorophenyl)-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2,3-bis[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-3-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine.
What is the SMILES notation for (E)-2,3-bis[3,5-bis(trifluoromethyl)phenyl]-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-2,3-bis(4-fluorophenyl)-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2,3-bis[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-3-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine?
The canonical SMILES for (E)-2,3-bis[3,5-bis(trifluoromethyl)phenyl]-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-2,3-bis(4-fluorophenyl)-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2,3-bis[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-3-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine is [C-]#[N+]/N=C1\c2ccccc2-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc21.[C-]#[N+]/N=C1\c2ccccc2-c2nc(-c3ccc(C(F)(F)F)cc3)cnc21.[C-]#[N+]/N=C1\c2ccccc2-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc21.[C-]#[N+]/N=C1\c2ccccc2-c2nc(-c3cccc(C(F)(F)F)c3)c(-c3cccc(C(F)(F)F)c3)nc21.[C-]#[N+]/N=C1\c2ccccc2-c2ncc(-c3ccc(C(F)(F)F)cc3)nc21.
What is the InChIKey of (E)-2,3-bis[3,5-bis(trifluoromethyl)phenyl]-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-2,3-bis(4-fluorophenyl)-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2,3-bis[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-3-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine?
The InChIKey is ALLGWISRWJSLQU-KFGVMYHYSA-N. The full InChI is InChI=1S/C28H10F12N4.C26H12F6N4.C24H12F2N4.2C19H9F3N4/c1-41-44-23-19-5-3-2-4-18(19)22-24(23)43-21(13-8-16(27(35,36)37)11-17(9-13)28(38,39)40)20(42-22)12-6-14(25(29,30)31)10-15(7-12)26(32,33)34;1-33-36-23-19-11-3-2-10-18(19)22-24(23)35-21(15-7-5-9-17(13-15)26(30,31)32)20(34-22)14-6-4-8-16(12-14)25(27,28)29;1-27-30-23-19-5-3-2-4-18(19)22-24(23)29-21(15-8-12-17(26)13-9-15)20(28-22)14-6-10-16(25)11-7-14;1-23-26-17-14-5-3-2-4-13(14)16-18(17)24-10-15(25-16)11-6-8-12(9-7-11)19(20,21)22;1-23-26-17-14-5-3-2-4-13(14)16-18(17)25-15(10-24-16)11-6-8-12(9-7-11)19(20,21)22/h2-11H;2-13H;2-13H;2*2-10H/b44-23+;36-23+;30-23+;2*26-17+.
What are the key properties of (E)-2,3-bis[3,5-bis(trifluoromethyl)phenyl]-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-2,3-bis(4-fluorophenyl)-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2,3-bis[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-3-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine?
(E)-2,3-bis[3,5-bis(trifluoromethyl)phenyl]-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-2,3-bis(4-fluorophenyl)-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2,3-bis[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-3-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine has a molecular weight of 2219.78 g/mol, XLogP of 32.41, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-bis[3,5-bis(trifluoromethyl)phenyl]-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-2,3-bis(4-fluorophenyl)-N-isocyanoindeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2,3-bis[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine;(E)-N-isocyano-3-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazin-9-imine is sourced from PubChem (CID 172943629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).