bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-4,8-difluoro-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide);bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]-4,8-bis(trifluoromethyl)pyrrolo[3,2-f]indol-5-ylidene]cyanamide);[2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide;bis([2-[3,5-bis(trifluoromethyl)phenyl]-4,8-dicyano-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide)

C204H65F79N46 — CID 164991550

IUPACbis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-4,8-difluoro-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide);bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]-4,8-bis(trifluoromethyl)pyrrolo[3,2-f]indol-5-ylidene]cyanamide);[2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide;bis([2-[3,5-bis(trifluoromethyl)phenyl]-4,8-dicyano-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide)
SMILESCc1cc(-c2nc3c(C#N)c4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)/c(=N/C#N)c4c(C#N)c3/c2=N\C#N)cc(C(F)(F)F)c1.Cc1cc(-c2nc3c(C#N)c4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)/c(=N/C#N)c4c(C#N)c3/c2=N\C#N)cc(C(F)(F)F)c1.Cc1cc(-c2nc3c(C(F)(F)F)c4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)/c(=N/C#N)c4c(C(F)(F)F)c3/c2=N/C#N)cc(C(F)(F)F)c1.Cc1cc(-c2nc3c(C(F)(F)F)c4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)/c(=N/C#N)c4c(C(F)(F)F)c3/c2=N/C#N)cc(C(F)(F)F)c1.Cc1cc(-c2nc3c(F)c4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)/c(=N/C#N)c4c(F)c3/c2=N\C#N)cc(C(F)(F)F)c1.Cc1cc(-c2nc3c(F)c4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)/c(=N/C#N)c4c(F)c3/c2=N\C#N)cc(C(F)(F)F)c1.Cc1cc(-c2nc3cc4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)/c(=N/C#N)c4cc3/c2=N\C#N)cc(C(F)(F)F)c1
InChIInChI=1S/2C30H9F15N6.2C30H9F9N8.2C28H9F11N6.C28H11F9N6/c2*1-10-2-11(4-13(3-10)26(31,32)33)20-24(48-8-46)16-18(29(40,41)42)17-23(19(22(16)50-20)30(43,44)45)51-21(25(17)49-9-47)12-5-14(27(34,35)36)7-15(6-12)28(37,38)39;2*1-12-2-13(4-15(3-12)28(31,32)33)22-26(44-10-42)20-18(8-40)21-25(19(9-41)24(20)46-22)47-23(27(21)45-11-43)14-5-16(29(34,35)36)7-17(6-14)30(37,38)39;2*1-10-2-11(4-13(3-10)26(31,32)33)20-24(42-8-40)16-18(29)17-23(19(30)22(16)44-20)45-21(25(17)43-9-41)12-5-14(27(34,35)36)7-15(6-12)28(37,38)39;1-12-2-13(4-15(3-12)26(29,30)31)22-24(40-10-38)18-8-19-21(9-20(18)42-22)43-23(25(19)41-11-39)14-5-16(27(32,33)34)7-17(6-14)28(35,36)37/h2*2-7H,1H3;2*2-7H,1H3;2*2-7H,1H3;2-9H,1H3/b2*48-24-,49-25+;2*44-26+,45-27+;2*42-24+,43-25+;40-24+,41-25+
InChIKeyGXVVTOVHLWOQOK-TZMPBQCCSA-N
MW4660.93 g/mol
LogP53.97
Rot. Bonds14

About bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-4,8-difluoro-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide);bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]-4,8-bis(trifluoromethyl)pyrrolo[3,2-f]indol-5-ylidene]cyanamide);[2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide;bis([2-[3,5-bis(trifluoromethyl)phenyl]-4,8-dicyano-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide)

bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-4,8-difluoro-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide);bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]-4,8-bis(trifluoromethyl)pyrrolo[3,2-f]indol-5-ylidene]cyanamide);[2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide;bis([2-[3,5-bis(trifluoromethyl)phenyl]-4,8-dicyano-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide) (PubChem CID 164991550) has the molecular formula C204H65F79N46 and a molecular weight of 4660.93 g/mol. Its IUPAC name is bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-4,8-difluoro-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide);bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]-4,8-bis(trifluoromethyl)pyrrolo[3,2-f]indol-5-ylidene]cyanamide);[2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide;bis([2-[3,5-bis(trifluoromethyl)phenyl]-4,8-dicyano-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide).

Molecular Properties

Compound Namebis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-4,8-difluoro-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide);bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]-4,8-bis(trifluoromethyl)pyrrolo[3,2-f]indol-5-ylidene]cyanamide);[2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide;bis([2-[3,5-bis(trifluoromethyl)phenyl]-4,8-dicyano-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide)
PubChem CID164991550
Molecular FormulaC204H65F79N46
Molecular Weight4660.93 g/mol
Exact Mass4658.52
IUPAC Namebis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-4,8-difluoro-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide);bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]-4,8-bis(trifluoromethyl)pyrrolo[3,2-f]indol-5-ylidene]cyanamide);[2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide;bis([2-[3,5-bis(trifluoromethyl)phenyl]-4,8-dicyano-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide)
SMILESCc1cc(-c2nc3c(C#N)c4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)/c(=N/C#N)c4c(C#N)c3/c2=N\C#N)cc(C(F)(F)F)c1.Cc1cc(-c2nc3c(C#N)c4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)/c(=N/C#N)c4c(C#N)c3/c2=N\C#N)cc(C(F)(F)F)c1.Cc1cc(-c2nc3c(C(F)(F)F)c4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)/c(=N/C#N)c4c(C(F)(F)F)c3/c2=N/C#N)cc(C(F)(F)F)c1.Cc1cc(-c2nc3c(C(F)(F)F)c4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)/c(=N/C#N)c4c(C(F)(F)F)c3/c2=N/C#N)cc(C(F)(F)F)c1.Cc1cc(-c2nc3c(F)c4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)/c(=N/C#N)c4c(F)c3/c2=N\C#N)cc(C(F)(F)F)c1.Cc1cc(-c2nc3c(F)c4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)/c(=N/C#N)c4c(F)c3/c2=N\C#N)cc(C(F)(F)F)c1.Cc1cc(-c2nc3cc4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)/c(=N/C#N)c4cc3/c2=N\C#N)cc(C(F)(F)F)c1
InChIInChI=1S/2C30H9F15N6.2C30H9F9N8.2C28H9F11N6.C28H11F9N6/c2*1-10-2-11(4-13(3-10)26(31,32)33)20-24(48-8-46)16-18(29(40,41)42)17-23(19(22(16)50-20)30(43,44)45)51-21(25(17)49-9-47)12-5-14(27(34,35)36)7-15(6-12)28(37,38)39;2*1-12-2-13(4-15(3-12)28(31,32)33)22-26(44-10-42)20-18(8-40)21-25(19(9-41)24(20)46-22)47-23(27(21)45-11-43)14-5-16(29(34,35)36)7-17(6-14)30(37,38)39;2*1-10-2-11(4-13(3-10)26(31,32)33)20-24(42-8-40)16-18(29)17-23(19(30)22(16)44-20)45-21(25(17)43-9-41)12-5-14(27(34,35)36)7-15(6-12)28(37,38)39;1-12-2-13(4-15(3-12)26(29,30)31)22-24(40-10-38)18-8-19-21(9-20(18)42-22)43-23(25(19)41-11-39)14-5-16(27(32,33)34)7-17(6-14)28(35,36)37/h2*2-7H,1H3;2*2-7H,1H3;2*2-7H,1H3;2-9H,1H3/b2*48-24-,49-25+;2*44-26+,45-27+;2*42-24+,43-25+;40-24+,41-25+
InChIKeyGXVVTOVHLWOQOK-TZMPBQCCSA-N
XLogP53.97
TPSA781.72 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds14
Heavy Atoms329
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004660.93
LogP ≤ 553.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Analyze bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-4,8-difluoro-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide);bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]-4,8-bis(trifluoromethyl)pyrrolo[3,2-f]indol-5-ylidene]cyanamide);[2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide;bis([2-[3,5-bis(trifluoromethyl)phenyl]-4,8-dicyano-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide) with MolForge

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Related Compounds

2-[4-[6-[1,1,1,3,3,3-hexafluoro-2-[2-(4-methylphenyl)-3H-indol-6-yl]propan-2-yl]-3H-indol-2-yl]phenyl]-6-methyl-3,5-dihydropyrrolo[3,2-f]indole
CID 59364976
2-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[4-(6-methyl-3,5-dihydropyrrolo[3,2-f]indol-2-yl)phenyl]-3,5-dihydropyrrolo[3,2-f]indole
CID 59364977
5-[(E)-cyano-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-fluorophenyl)-5-isocyano-2,6-diphenyl-s-indacen-1-ylidene]methyl]benzene-1,3-dicarbonitrile
CID 153492788
5-[(Z)-[(5Z)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-difluoro-7-isocyano-2,6-diphenyl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile
CID 153492790
5-[(E)-cyano-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-2,6-difluoro-4,8-bis(4-fluorophenyl)-5-isocyano-s-indacen-1-ylidene]methyl]benzene-1,3-dicarbonitrile
CID 153492798
5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-2,6-bis(4-fluorophenyl)-7-isocyano-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile
CID 153492800
5-[(Z)-[(7Z)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-difluoro-5-isocyano-2,6-diphenyl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile
CID 153492812
5-[(E)-cyano-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]methyl]benzene-1,3-dicarbonitrile
CID 153492814
5-[(E)-cyano-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-2,6-difluoro-4,8-bis(4-fluorophenyl)-7-isocyano-s-indacen-1-ylidene]methyl]benzene-1,3-dicarbonitrile
CID 153492815
5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-2,6-bis(4-fluorophenyl)-5-isocyano-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile
CID 153492818
5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-fluorophenyl)-7-isocyano-2,6-diphenyl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile
CID 153492833
5-[(E)-cyano-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-2,6-difluoro-5-isocyano-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]methyl]benzene-1,3-dicarbonitrile
CID 153492835

Frequently Asked Questions

What is the IUPAC name of bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-4,8-difluoro-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide);bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]-4,8-bis(trifluoromethyl)pyrrolo[3,2-f]indol-5-ylidene]cyanamide);[2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide;bis([2-[3,5-bis(trifluoromethyl)phenyl]-4,8-dicyano-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide)?
The IUPAC name of bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-4,8-difluoro-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide);bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]-4,8-bis(trifluoromethyl)pyrrolo[3,2-f]indol-5-ylidene]cyanamide);[2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide;bis([2-[3,5-bis(trifluoromethyl)phenyl]-4,8-dicyano-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide) (CID 164991550) is bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-4,8-difluoro-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide);bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]-4,8-bis(trifluoromethyl)pyrrolo[3,2-f]indol-5-ylidene]cyanamide);[2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide;bis([2-[3,5-bis(trifluoromethyl)phenyl]-4,8-dicyano-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide).
What is the SMILES notation for bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-4,8-difluoro-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide);bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]-4,8-bis(trifluoromethyl)pyrrolo[3,2-f]indol-5-ylidene]cyanamide);[2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide;bis([2-[3,5-bis(trifluoromethyl)phenyl]-4,8-dicyano-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide)?
The canonical SMILES for bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-4,8-difluoro-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide);bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]-4,8-bis(trifluoromethyl)pyrrolo[3,2-f]indol-5-ylidene]cyanamide);[2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide;bis([2-[3,5-bis(trifluoromethyl)phenyl]-4,8-dicyano-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide) is Cc1cc(-c2nc3c(C#N)c4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)/c(=N/C#N)c4c(C#N)c3/c2=N\C#N)cc(C(F)(F)F)c1.Cc1cc(-c2nc3c(C#N)c4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)/c(=N/C#N)c4c(C#N)c3/c2=N\C#N)cc(C(F)(F)F)c1.Cc1cc(-c2nc3c(C(F)(F)F)c4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)/c(=N/C#N)c4c(C(F)(F)F)c3/c2=N/C#N)cc(C(F)(F)F)c1.Cc1cc(-c2nc3c(C(F)(F)F)c4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)/c(=N/C#N)c4c(C(F)(F)F)c3/c2=N/C#N)cc(C(F)(F)F)c1.Cc1cc(-c2nc3c(F)c4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)/c(=N/C#N)c4c(F)c3/c2=N\C#N)cc(C(F)(F)F)c1.Cc1cc(-c2nc3c(F)c4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)/c(=N/C#N)c4c(F)c3/c2=N\C#N)cc(C(F)(F)F)c1.Cc1cc(-c2nc3cc4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)/c(=N/C#N)c4cc3/c2=N\C#N)cc(C(F)(F)F)c1.
What is the InChIKey of bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-4,8-difluoro-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide);bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]-4,8-bis(trifluoromethyl)pyrrolo[3,2-f]indol-5-ylidene]cyanamide);[2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide;bis([2-[3,5-bis(trifluoromethyl)phenyl]-4,8-dicyano-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide)?
The InChIKey is GXVVTOVHLWOQOK-TZMPBQCCSA-N. The full InChI is InChI=1S/2C30H9F15N6.2C30H9F9N8.2C28H9F11N6.C28H11F9N6/c2*1-10-2-11(4-13(3-10)26(31,32)33)20-24(48-8-46)16-18(29(40,41)42)17-23(19(22(16)50-20)30(43,44)45)51-21(25(17)49-9-47)12-5-14(27(34,35)36)7-15(6-12)28(37,38)39;2*1-12-2-13(4-15(3-12)28(31,32)33)22-26(44-10-42)20-18(8-40)21-25(19(9-41)24(20)46-22)47-23(27(21)45-11-43)14-5-16(29(34,35)36)7-17(6-14)30(37,38)39;2*1-10-2-11(4-13(3-10)26(31,32)33)20-24(42-8-40)16-18(29)17-23(19(30)22(16)44-20)45-21(25(17)43-9-41)12-5-14(27(34,35)36)7-15(6-12)28(37,38)39;1-12-2-13(4-15(3-12)26(29,30)31)22-24(40-10-38)18-8-19-21(9-20(18)42-22)43-23(25(19)41-11-39)14-5-16(27(32,33)34)7-17(6-14)28(35,36)37/h2*2-7H,1H3;2*2-7H,1H3;2*2-7H,1H3;2-9H,1H3/b2*48-24-,49-25+;2*44-26+,45-27+;2*42-24+,43-25+;40-24+,41-25+.
What are the key properties of bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-4,8-difluoro-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide);bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]-4,8-bis(trifluoromethyl)pyrrolo[3,2-f]indol-5-ylidene]cyanamide);[2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide;bis([2-[3,5-bis(trifluoromethyl)phenyl]-4,8-dicyano-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide)?
bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-4,8-difluoro-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide);bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]-4,8-bis(trifluoromethyl)pyrrolo[3,2-f]indol-5-ylidene]cyanamide);[2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide;bis([2-[3,5-bis(trifluoromethyl)phenyl]-4,8-dicyano-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide) has a molecular weight of 4660.93 g/mol, XLogP of 53.97, 14 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-4,8-difluoro-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide);bis([2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]-4,8-bis(trifluoromethyl)pyrrolo[3,2-f]indol-5-ylidene]cyanamide);[2-[3,5-bis(trifluoromethyl)phenyl]-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide;bis([2-[3,5-bis(trifluoromethyl)phenyl]-4,8-dicyano-3-cyanoimino-6-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolo[3,2-f]indol-5-ylidene]cyanamide) is sourced from PubChem (CID 164991550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).