[(6E)-2,8-bis(3,4-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3,5-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(4-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,4-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(4-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile

C288H120F24N32 — CID 172988367

IUPAC[(6E)-2,8-bis(3,4-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3,5-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(4-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,4-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(4-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile
SMILES[C-]#[N+]/C(C#N)=C1/c2cc(-c3cc(F)cc(F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cc(F)cc(F)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(F)c(F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(F)c(F)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(F)cc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(F)cc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3cccc(F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cccc(F)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/N=c1\c2cc(-c3cc(F)cc(F)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5cc(F)cc(F)c5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(F)c(F)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(F)c(F)c5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(F)cc3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(F)cc5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3cccc(F)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5cccc(F)c5)ccc4c3cc12
InChIInChI=1S/2C38H14F4N4.2C38H16F2N4.2C34H14F4N4.2C34H16F2N4/c1-45-35(17-43)37-27-11-19(21-5-9-31(39)33(41)13-21)3-7-23(27)25-16-30-26(15-29(25)37)24-8-4-20(22-6-10-32(40)34(42)14-22)12-28(24)38(30)36(18-44)46-2;1-45-35(17-43)37-31-11-19(21-7-23(39)13-24(40)8-21)3-5-27(31)29-16-34-30(15-33(29)37)28-6-4-20(22-9-25(41)14-26(42)10-22)12-32(28)38(34)36(18-44)46-2;1-43-35(19-41)37-31-15-23(21-3-9-25(39)10-4-21)7-13-27(31)29-18-34-30(17-33(29)37)28-14-8-24(22-5-11-26(40)12-6-22)16-32(28)38(34)36(20-42)44-2;1-43-35(19-41)37-31-15-23(21-5-3-7-25(39)13-21)9-11-27(31)29-18-34-30(17-33(29)37)28-12-10-24(22-6-4-8-26(40)14-22)16-32(28)38(34)36(20-42)44-2;1-40-42-34-26-11-18(20-5-9-30(36)32(38)13-20)3-7-22(26)24-14-27-23(15-28(24)34)21-6-2-17(10-25(21)33(27)41-16-39)19-4-8-29(35)31(37)12-19;1-40-42-34-30-11-18(20-8-23(37)13-24(38)9-20)3-5-26(30)28-14-31-27(15-32(28)34)25-4-2-17(10-29(25)33(31)41-16-39)19-6-21(35)12-22(36)7-19;1-38-40-34-30-15-22(20-4-10-24(36)11-5-20)7-13-26(30)28-16-31-27(17-32(28)34)25-12-6-21(14-29(25)33(31)39-18-37)19-2-8-23(35)9-3-19;1-38-40-34-30-15-22(20-5-3-7-24(36)13-20)9-11-26(30)28-16-31-27(17-32(28)34)25-10-8-21(14-29(25)33(31)39-18-37)19-4-2-6-23(35)12-19/h2*3-16H;2*3-18H;2*2-15H;2*2-17H/b4*37-35-,38-36+;2*41-33+,42-34+;2*39-33+,40-34+
InChIKeyPAUOMENIQYIKPH-DWXGGPKCSA-N
MW4484.30 g/mol
LogP71.39
Rot. Bonds16

About [(6E)-2,8-bis(3,4-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3,5-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(4-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,4-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(4-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile

[(6E)-2,8-bis(3,4-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3,5-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(4-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,4-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(4-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile (PubChem CID 172988367) has the molecular formula C288H120F24N32 and a molecular weight of 4484.30 g/mol. Its IUPAC name is [(6E)-2,8-bis(3,4-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3,5-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(4-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,4-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(4-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile.

Molecular Properties

Compound Name[(6E)-2,8-bis(3,4-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3,5-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(4-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,4-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(4-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile
PubChem CID172988367
Molecular FormulaC288H120F24N32
Molecular Weight4484.30 g/mol
Exact Mass4481.00
IUPAC Name[(6E)-2,8-bis(3,4-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3,5-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(4-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,4-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(4-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile
SMILES[C-]#[N+]/C(C#N)=C1/c2cc(-c3cc(F)cc(F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cc(F)cc(F)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(F)c(F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(F)c(F)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(F)cc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(F)cc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3cccc(F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cccc(F)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/N=c1\c2cc(-c3cc(F)cc(F)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5cc(F)cc(F)c5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(F)c(F)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(F)c(F)c5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(F)cc3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(F)cc5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3cccc(F)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5cccc(F)c5)ccc4c3cc12
InChIInChI=1S/2C38H14F4N4.2C38H16F2N4.2C34H14F4N4.2C34H16F2N4/c1-45-35(17-43)37-27-11-19(21-5-9-31(39)33(41)13-21)3-7-23(27)25-16-30-26(15-29(25)37)24-8-4-20(22-6-10-32(40)34(42)14-22)12-28(24)38(30)36(18-44)46-2;1-45-35(17-43)37-31-11-19(21-7-23(39)13-24(40)8-21)3-5-27(31)29-16-34-30(15-33(29)37)28-6-4-20(22-9-25(41)14-26(42)10-22)12-32(28)38(34)36(18-44)46-2;1-43-35(19-41)37-31-15-23(21-3-9-25(39)10-4-21)7-13-27(31)29-18-34-30(17-33(29)37)28-14-8-24(22-5-11-26(40)12-6-22)16-32(28)38(34)36(20-42)44-2;1-43-35(19-41)37-31-15-23(21-5-3-7-25(39)13-21)9-11-27(31)29-18-34-30(17-33(29)37)28-12-10-24(22-6-4-8-26(40)14-22)16-32(28)38(34)36(20-42)44-2;1-40-42-34-26-11-18(20-5-9-30(36)32(38)13-20)3-7-22(26)24-14-27-23(15-28(24)34)21-6-2-17(10-25(21)33(27)41-16-39)19-4-8-29(35)31(37)12-19;1-40-42-34-30-11-18(20-8-23(37)13-24(38)9-20)3-5-26(30)28-14-31-27(15-32(28)34)25-4-2-17(10-29(25)33(31)41-16-39)19-6-21(35)12-22(36)7-19;1-38-40-34-30-15-22(20-4-10-24(36)11-5-20)7-13-26(30)28-16-31-27(17-32(28)34)25-12-6-21(14-29(25)33(31)39-18-37)19-2-8-23(35)9-3-19;1-38-40-34-30-15-22(20-5-3-7-24(36)13-20)9-11-26(30)28-16-31-27(17-32(28)34)25-10-8-21(14-29(25)33(31)39-18-37)19-4-2-6-23(35)12-19/h2*3-16H;2*3-18H;2*2-15H;2*2-17H/b4*37-35-,38-36+;2*41-33+,42-34+;2*39-33+,40-34+
InChIKeyPAUOMENIQYIKPH-DWXGGPKCSA-N
XLogP71.39
TPSA436.68 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms344
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004484.30
LogP ≤ 571.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze [(6E)-2,8-bis(3,4-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3,5-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(4-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,4-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(4-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(6E)-2,8-bis(3,4-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3,5-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(4-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,4-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(4-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile?
The IUPAC name of [(6E)-2,8-bis(3,4-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3,5-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(4-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,4-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(4-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile (CID 172988367) is [(6E)-2,8-bis(3,4-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3,5-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(4-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,4-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(4-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile.
What is the SMILES notation for [(6E)-2,8-bis(3,4-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3,5-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(4-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,4-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(4-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile?
The canonical SMILES for [(6E)-2,8-bis(3,4-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3,5-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(4-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,4-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(4-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile is [C-]#[N+]/C(C#N)=C1/c2cc(-c3cc(F)cc(F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cc(F)cc(F)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(F)c(F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(F)c(F)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(F)cc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(F)cc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3cccc(F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cccc(F)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/N=c1\c2cc(-c3cc(F)cc(F)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5cc(F)cc(F)c5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(F)c(F)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(F)c(F)c5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(F)cc3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(F)cc5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3cccc(F)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5cccc(F)c5)ccc4c3cc12.
What is the InChIKey of [(6E)-2,8-bis(3,4-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3,5-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(4-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,4-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(4-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile?
The InChIKey is PAUOMENIQYIKPH-DWXGGPKCSA-N. The full InChI is InChI=1S/2C38H14F4N4.2C38H16F2N4.2C34H14F4N4.2C34H16F2N4/c1-45-35(17-43)37-27-11-19(21-5-9-31(39)33(41)13-21)3-7-23(27)25-16-30-26(15-29(25)37)24-8-4-20(22-6-10-32(40)34(42)14-22)12-28(24)38(30)36(18-44)46-2;1-45-35(17-43)37-31-11-19(21-7-23(39)13-24(40)8-21)3-5-27(31)29-16-34-30(15-33(29)37)28-6-4-20(22-9-25(41)14-26(42)10-22)12-32(28)38(34)36(18-44)46-2;1-43-35(19-41)37-31-15-23(21-3-9-25(39)10-4-21)7-13-27(31)29-18-34-30(17-33(29)37)28-14-8-24(22-5-11-26(40)12-6-22)16-32(28)38(34)36(20-42)44-2;1-43-35(19-41)37-31-15-23(21-5-3-7-25(39)13-21)9-11-27(31)29-18-34-30(17-33(29)37)28-12-10-24(22-6-4-8-26(40)14-22)16-32(28)38(34)36(20-42)44-2;1-40-42-34-26-11-18(20-5-9-30(36)32(38)13-20)3-7-22(26)24-14-27-23(15-28(24)34)21-6-2-17(10-25(21)33(27)41-16-39)19-4-8-29(35)31(37)12-19;1-40-42-34-30-11-18(20-8-23(37)13-24(38)9-20)3-5-26(30)28-14-31-27(15-32(28)34)25-4-2-17(10-29(25)33(31)41-16-39)19-6-21(35)12-22(36)7-19;1-38-40-34-30-15-22(20-4-10-24(36)11-5-20)7-13-26(30)28-16-31-27(17-32(28)34)25-12-6-21(14-29(25)33(31)39-18-37)19-2-8-23(35)9-3-19;1-38-40-34-30-15-22(20-5-3-7-24(36)13-20)9-11-26(30)28-16-31-27(17-32(28)34)25-10-8-21(14-29(25)33(31)39-18-37)19-4-2-6-23(35)12-19/h2*3-16H;2*3-18H;2*2-15H;2*2-17H/b4*37-35-,38-36+;2*41-33+,42-34+;2*39-33+,40-34+.
What are the key properties of [(6E)-2,8-bis(3,4-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3,5-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(4-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,4-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(4-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile?
[(6E)-2,8-bis(3,4-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3,5-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(4-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,4-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(4-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile has a molecular weight of 4484.30 g/mol, XLogP of 71.39, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E)-2,8-bis(3,4-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3,5-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(4-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,4-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(4-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile is sourced from PubChem (CID 172988367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).