Question 1

What is the IUPAC name of (2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(3,5-dimethylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-fluoro-3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-1,2,3,4-tetrafluoro-8-(3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(12E)-2-(3,5-dimethylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-2-(4-fluoro-3-methylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-1,2,3,4-tetrafluoro-6-isocyanoimino-8-(3-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide?

Accepted Answer

The IUPAC name of (2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(3,5-dimethylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-fluoro-3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-1,2,3,4-tetrafluoro-8-(3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(12E)-2-(3,5-dimethylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-2-(4-fluoro-3-methylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-1,2,3,4-tetrafluoro-6-isocyanoimino-8-(3-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide (CID 172928774) is (2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(3,5-dimethylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-fluoro-3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-1,2,3,4-tetrafluoro-8-(3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(12E)-2-(3,5-dimethylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-2-(4-fluoro-3-methylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-1,2,3,4-tetrafluoro-6-isocyanoimino-8-(3-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide.

Question 2

What is the SMILES notation for (2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(3,5-dimethylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-fluoro-3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-1,2,3,4-tetrafluoro-8-(3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(12E)-2-(3,5-dimethylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-2-(4-fluoro-3-methylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-1,2,3,4-tetrafluoro-6-isocyanoimino-8-(3-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide?

Accepted Answer

The canonical SMILES for (2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(3,5-dimethylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-fluoro-3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-1,2,3,4-tetrafluoro-8-(3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(12E)-2-(3,5-dimethylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-2-(4-fluoro-3-methylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-1,2,3,4-tetrafluoro-6-isocyanoimino-8-(3-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide is [C-]#[N+]/C(C#N)=C1/c2cc(F)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(C)cc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(F)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc([N+]#[C-])cc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2ccccc2-c2cc3c(cc21)-c1ccc(-c2cc(C)cc(C)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2ccccc2-c2cc3c(cc21)-c1ccc(-c2ccc(F)c(C)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2ccccc2-c2cc3c(cc21)-c1ccc(-c2ccc([N+]#[C-])cc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1\c2cc(-c3cccc(C)c3)ccc2-c2cc3c(cc21)-c1c(F)c(F)c(F)c(F)c1/C3=C(\C#N)[N+]#[C-].[C-]#[N+]/N=c1\c2cc(-c3cc(C)cc(C)c3)ccc2c2cc3/c(=N/C#N)c4ccccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(C)cc3)ccc2c2cc3/c(=N/C#N)c4cc(F)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(F)c(C)c3)ccc2c2cc3/c(=N/C#N)c4ccccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc([N+]#[C-])cc3)ccc2c2cc3/c(=N/C#N)c4cc(F)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc([N+]#[C-])cc3)ccc2c2cc3/c(=N/C#N)c4ccccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3cccc(C)c3)ccc2c2cc3/c(=N\C#N)c4c(F)c(F)c(F)c(F)c4c3cc12.

Question 3

What is the InChIKey of (2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(3,5-dimethylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-fluoro-3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-1,2,3,4-tetrafluoro-8-(3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(12E)-2-(3,5-dimethylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-2-(4-fluoro-3-methylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-1,2,3,4-tetrafluoro-6-isocyanoimino-8-(3-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide?

Accepted Answer

The InChIKey is BJZZZFCBNODKML-VFKYRHGISA-N. The full InChI is InChI=1S/C34H18N4.C33H12F4N4.C33H12FN5.2C33H15FN4.C33H13N5.C30H18N4.C29H12F4N4.C29H12FN5.2C29H15FN4.C29H13N5/c1-19-11-20(2)13-22(12-19)21-9-10-24-27-16-29-26(15-30(27)34(28(24)14-21)32(18-36)38-4)23-7-5-6-8-25(23)33(29)31(17-35)37-3;1-15-5-4-6-16(9-15)17-7-8-18-19-11-22-23(12-21(19)26(20(18)10-17)24(13-38)40-2)28-29(27(22)25(14-39)41-3)31(35)33(37)32(36)30(28)34;1-37-21-8-4-18(5-9-21)19-6-10-22-24-14-29-25(15-28(24)32(26(22)12-19)30(16-35)38-2)23-11-7-20(34)13-27(23)33(29)31(17-36)39-3;1-18-4-6-19(7-5-18)20-8-10-22-24-14-29-25(15-28(24)32(26(22)12-20)30(16-35)37-2)23-11-9-21(34)13-27(23)33(29)31(17-36)38-3;1-18-12-19(9-11-29(18)34)20-8-10-22-25-15-27-24(14-28(25)33(26(22)13-20)31(17-36)38-3)21-6-4-5-7-23(21)32(27)30(16-35)37-2;1-36-21-11-8-19(9-12-21)20-10-13-23-26-16-28-25(15-29(26)33(27(23)14-20)31(18-35)38-3)22-6-4-5-7-24(22)32(28)30(17-34)37-2;1-17-10-18(2)12-20(11-17)19-8-9-22-25-14-27-24(15-28(25)30(34-32-3)26(22)13-19)21-6-4-5-7-23(21)29(27)33-16-31;1-13-4-3-5-14(8-13)15-6-7-16-17-10-21-18(11-20(17)28(37-35-2)19(16)9-15)22-23(29(21)36-12-34)25(31)27(33)26(32)24(22)30;1-32-19-7-3-16(4-8-19)17-5-9-20-23-13-26-22(14-27(23)29(35-33-2)24(20)11-17)21-10-6-18(30)12-25(21)28(26)34-15-31;1-16-3-5-17(6-4-16)18-7-9-20-23-13-26-22(14-27(23)29(34-32-2)24(20)11-18)21-10-8-19(30)12-25(21)28(26)33-15-31;1-16-11-17(8-10-27(16)30)18-7-9-20-23-13-25-22(14-26(23)29(34-32-2)24(20)12-18)19-5-3-4-6-21(19)28(25)33-15-31;1-31-19-10-7-17(8-11-19)18-9-12-21-24-14-26-23(15-27(24)29(34-32-2)25(21)13-18)20-5-3-4-6-22(20)28(26)33-16-30/h5-16H,1-2H3;4-12H,1H3;4-15H;2*4-15H,1H3;4-16H;4-15H,1-2H3;3-11H,1H3;3-14H;2*3-14H,1H3;3-15H/b33-31-,34-32+;26-24+,27-25+;2*32-30+,33-31-;2*32-30-,33-31+;33-29+,34-30+;36-29+,37-28+;34-28+,35-29+;3*33-28+,34-29+.

Question 4

What are the key properties of (2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(3,5-dimethylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-fluoro-3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-1,2,3,4-tetrafluoro-8-(3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(12E)-2-(3,5-dimethylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-2-(4-fluoro-3-methylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-1,2,3,4-tetrafluoro-6-isocyanoimino-8-(3-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide?

Accepted Answer

(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(3,5-dimethylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-fluoro-3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-1,2,3,4-tetrafluoro-8-(3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(12E)-2-(3,5-dimethylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-2-(4-fluoro-3-methylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-1,2,3,4-tetrafluoro-6-isocyanoimino-8-(3-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide has a molecular weight of 5657.81 g/mol, XLogP of 89.30, 12 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Question 5

Where does this data come from?

Accepted Answer

All data for (2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(3,5-dimethylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-fluoro-3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-1,2,3,4-tetrafluoro-8-(3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(12E)-2-(3,5-dimethylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-2-(4-fluoro-3-methylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-1,2,3,4-tetrafluoro-6-isocyanoimino-8-(3-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide is sourced from PubChem (CID 172928774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Compound Name	(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(3,5-dimethylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-fluoro-3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-1,2,3,4-tetrafluoro-8-(3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(12E)-2-(3,5-dimethylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-2-(4-fluoro-3-methylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-1,2,3,4-tetrafluoro-6-isocyanoimino-8-(3-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide
PubChem CID	172928774
Molecular Formula	C374H170F14N52
Molecular Weight	5657.81 g/mol
Exact Mass	5653.47
IUPAC Name	(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(3,5-dimethylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-fluoro-3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-1,2,3,4-tetrafluoro-8-(3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(12E)-2-(3,5-dimethylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-2-(4-fluoro-3-methylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-1,2,3,4-tetrafluoro-6-isocyanoimino-8-(3-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide
SMILES	[C-]#[N+]/C(C#N)=C1/c2cc(F)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(C)cc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(F)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc([N+]#[C-])cc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2ccccc2-c2cc3c(cc21)-c1ccc(-c2cc(C)cc(C)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2ccccc2-c2cc3c(cc21)-c1ccc(-c2ccc(F)c(C)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2ccccc2-c2cc3c(cc21)-c1ccc(-c2ccc([N+]#[C-])cc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1\c2cc(-c3cccc(C)c3)ccc2-c2cc3c(cc21)-c1c(F)c(F)c(F)c(F)c1/C3=C(\C#N)[N+]#[C-].[C-]#[N+]/N=c1\c2cc(-c3cc(C)cc(C)c3)ccc2c2cc3/c(=N/C#N)c4ccccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(C)cc3)ccc2c2cc3/c(=N/C#N)c4cc(F)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(F)c(C)c3)ccc2c2cc3/c(=N/C#N)c4ccccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc([N+]#[C-])cc3)ccc2c2cc3/c(=N/C#N)c4cc(F)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc([N+]#[C-])cc3)ccc2c2cc3/c(=N/C#N)c4ccccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3cccc(C)c3)ccc2c2cc3/c(=N\C#N)c4c(F)c(F)c(F)c(F)c4c3cc12
InChI	InChI=1S/C34H18N4.C33H12F4N4.C33H12FN5.2C33H15FN4.C33H13N5.C30H18N4.C29H12F4N4.C29H12FN5.2C29H15FN4.C29H13N5/c1-19-11-20(2)13-22(12-19)21-9-10-24-27-16-29-26(15-30(27)34(28(24)14-21)32(18-36)38-4)23-7-5-6-8-25(23)33(29)31(17-35)37-3;1-15-5-4-6-16(9-15)17-7-8-18-19-11-22-23(12-21(19)26(20(18)10-17)24(13-38)40-2)28-29(27(22)25(14-39)41-3)31(35)33(37)32(36)30(28)34;1-37-21-8-4-18(5-9-21)19-6-10-22-24-14-29-25(15-28(24)32(26(22)12-19)30(16-35)38-2)23-11-7-20(34)13-27(23)33(29)31(17-36)39-3;1-18-4-6-19(7-5-18)20-8-10-22-24-14-29-25(15-28(24)32(26(22)12-20)30(16-35)37-2)23-11-9-21(34)13-27(23)33(29)31(17-36)38-3;1-18-12-19(9-11-29(18)34)20-8-10-22-25-15-27-24(14-28(25)33(26(22)13-20)31(17-36)38-3)21-6-4-5-7-23(21)32(27)30(16-35)37-2;1-36-21-11-8-19(9-12-21)20-10-13-23-26-16-28-25(15-29(26)33(27(23)14-20)31(18-35)38-3)22-6-4-5-7-24(22)32(28)30(17-34)37-2;1-17-10-18(2)12-20(11-17)19-8-9-22-25-14-27-24(15-28(25)30(34-32-3)26(22)13-19)21-6-4-5-7-23(21)29(27)33-16-31;1-13-4-3-5-14(8-13)15-6-7-16-17-10-21-18(11-20(17)28(37-35-2)19(16)9-15)22-23(29(21)36-12-34)25(31)27(33)26(32)24(22)30;1-32-19-7-3-16(4-8-19)17-5-9-20-23-13-26-22(14-27(23)29(35-33-2)24(20)11-17)21-10-6-18(30)12-25(21)28(26)34-15-31;1-16-3-5-17(6-4-16)18-7-9-20-23-13-26-22(14-27(23)29(34-32-2)24(20)11-18)21-10-8-19(30)12-25(21)28(26)33-15-31;1-16-11-17(8-10-27(16)30)18-7-9-20-23-13-25-22(14-26(23)29(34-32-2)24(20)12-18)19-5-3-4-6-21(19)28(25)33-15-31;1-31-19-10-7-17(8-11-19)18-9-12-21-24-14-26-23(15-27(24)29(34-32-2)25(21)13-18)20-5-3-4-6-22(20)28(26)33-16-30/h5-16H,1-2H3;4-12H,1H3;4-15H;24-15H,1H3;4-16H;4-15H,1-2H3;3-11H,1H3;3-14H;23-14H,1H3;3-15H/b33-31-,34-32+;26-24+,27-25+;232-30+,33-31-;232-30-,33-31+;33-29+,34-30+;36-29+,37-28+;34-28+,35-29+;3*33-28+,34-29+
InChIKey	BJZZZFCBNODKML-VFKYRHGISA-N
XLogP	89.30
TPSA	672.46 Å²
H-Bond Donors
H-Bond Acceptors	30
Rotatable Bonds	12
Heavy Atoms	440
Complexity	—

Rule	Value
MW ≤ 500	5657.81
LogP ≤ 5	89.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Molecular Properties

Lipinski Rule of Five

Related Compounds

Frequently Asked Questions