(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-bis(1,1,1-trifluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[10-[cyano(isocyano)methylidene]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-5-(2,2,3,3,3-pentafluoropropoxy)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile

C294H125F22N39O5 — CID 158789276

IUPAC(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-bis(1,1,1-trifluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[10-[cyano(isocyano)methylidene]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-5-(2,2,3,3,3-pentafluoropropoxy)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile
SMILES[C-]#[N+]/C(C#N)=C1/c2cc(F)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2ccc(C)cc2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(OC(F)(F)F)ccc2-c2c1cc1c(c2OCC(F)(F)C(F)(F)F)-c2ccc(C)cc2/C1=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(OC(F)(F)F)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2ccc(C)cc2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc3c(cc2-c2c1ccc1ccccc21)-c1c(ccc2ccccc12)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc3c(cc2-c2c1ccc1cccnc21)-c1c(ccc2cccnc12)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1\c2cc(C)ccc2-c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])c1ccc2ccccc2c1-3.[C-]#[N+]/C(C#N)=C1\c2cc(OC(C)C(F)(F)F)ccc2-c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])c1cc(OC(C)C(F)(F)F)ccc1-3.[C-]#[N+]/C(C#N)=C1\c2cc3c(nc2-c2c1ccc1ccccc21)-c1c(ccc2ccccc12)/C3=C(/C#N)[N+]#[C-].[C-]#[N+]C(C#N)=C1c2cc(-c3ccc(F)c(C(F)(F)F)c3)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(C)ccc1-3
InChIInChI=1S/C34H14F4N4.C34H15F3N4O.C34H14N4.C33H15FN4.C33H13N5.C32H16F6N4O2.C32H12N6.C31H12F8N4O2.C31H14N4/c1-17-4-7-20-22-13-23-21-8-5-18(19-6-9-29(35)28(12-19)34(36,37)38)11-25(21)33(31(16-40)42-3)27(23)14-26(22)32(24(20)10-17)30(15-39)41-2;1-18-4-6-19(7-5-18)20-8-10-22-24-14-25-23-11-9-21(42-34(35,36)37)13-27(23)33(31(17-39)41-3)29(25)15-28(24)32(26(22)12-20)30(16-38)40-2;1-37-29(17-35)33-23-13-11-19-7-3-5-9-21(19)31(23)25-15-26-28(16-27(25)33)34(30(18-36)38-2)24-14-12-20-8-4-6-10-22(20)32(24)26;1-18-4-6-19(7-5-18)20-8-10-22-24-14-25-23-11-9-21(34)13-27(23)33(31(17-36)38-3)29(25)15-28(24)32(26(22)12-20)30(16-35)37-2;1-36-26(16-34)28-22-13-11-18-7-3-5-9-20(18)30(22)32-24(28)15-25-29(27(17-35)37-2)23-14-12-19-8-4-6-10-21(19)31(23)33(25)38-32;1-15(31(33,34)35)43-17-5-7-19-21-11-22-20-8-6-18(44-16(2)32(36,37)38)10-24(20)30(28(14-40)42-4)26(22)12-25(21)29(23(19)9-17)27(13-39)41-3;1-35-25(15-33)27-19-9-7-17-5-3-11-37-31(17)29(19)23-14-24-22(13-21(23)27)28(26(16-34)36-2)20-10-8-18-6-4-12-38-32(18)30(20)24;1-14-4-6-16-18(8-14)24(22(11-40)42-2)20-10-21-25(23(12-41)43-3)19-9-15(45-31(37,38)39)5-7-17(19)27(21)28(26(16)20)44-13-29(32,33)30(34,35)36;1-17-8-10-20-22-13-25-26(14-24(22)31(23(20)12-17)28(16-33)35-3)30(27(15-32)34-2)21-11-9-18-6-4-5-7-19(18)29(21)25/h4-14H,1H3;4-15H,1H3;3-16H;4-15H,1H3;3-15H;5-12,15-16H,1-2H3;3-14H;4-10H,13H2,1H3;4-14H,1H3/b32-30+,33-31?;32-30+,33-31-;33-29-,34-30+;32-30+,33-31-;28-26-,29-27+;29-27-,30-28+;27-25-,28-26+;24-22+,25-23-;30-27-,31-28+
InChIKeyISBKMADQDKDMLS-OETCPFPRSA-N
MW4701.46 g/mol
LogP74.60
Rot. Bonds12

About (2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-bis(1,1,1-trifluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[10-[cyano(isocyano)methylidene]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-5-(2,2,3,3,3-pentafluoropropoxy)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile

(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-bis(1,1,1-trifluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[10-[cyano(isocyano)methylidene]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-5-(2,2,3,3,3-pentafluoropropoxy)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile (PubChem CID 158789276) has the molecular formula C294H125F22N39O5 and a molecular weight of 4701.46 g/mol. Its IUPAC name is (2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-bis(1,1,1-trifluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[10-[cyano(isocyano)methylidene]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-5-(2,2,3,3,3-pentafluoropropoxy)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile.

Molecular Properties

Compound Name(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-bis(1,1,1-trifluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[10-[cyano(isocyano)methylidene]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-5-(2,2,3,3,3-pentafluoropropoxy)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile
PubChem CID158789276
Molecular FormulaC294H125F22N39O5
Molecular Weight4701.46 g/mol
Exact Mass4698.04
IUPAC Name(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-bis(1,1,1-trifluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[10-[cyano(isocyano)methylidene]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-5-(2,2,3,3,3-pentafluoropropoxy)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile
SMILES[C-]#[N+]/C(C#N)=C1/c2cc(F)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2ccc(C)cc2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(OC(F)(F)F)ccc2-c2c1cc1c(c2OCC(F)(F)C(F)(F)F)-c2ccc(C)cc2/C1=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(OC(F)(F)F)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2ccc(C)cc2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc3c(cc2-c2c1ccc1ccccc21)-c1c(ccc2ccccc12)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc3c(cc2-c2c1ccc1cccnc21)-c1c(ccc2cccnc12)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1\c2cc(C)ccc2-c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])c1ccc2ccccc2c1-3.[C-]#[N+]/C(C#N)=C1\c2cc(OC(C)C(F)(F)F)ccc2-c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])c1cc(OC(C)C(F)(F)F)ccc1-3.[C-]#[N+]/C(C#N)=C1\c2cc3c(nc2-c2c1ccc1ccccc21)-c1c(ccc2ccccc12)/C3=C(/C#N)[N+]#[C-].[C-]#[N+]C(C#N)=C1c2cc(-c3ccc(F)c(C(F)(F)F)c3)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(C)ccc1-3
InChIInChI=1S/C34H14F4N4.C34H15F3N4O.C34H14N4.C33H15FN4.C33H13N5.C32H16F6N4O2.C32H12N6.C31H12F8N4O2.C31H14N4/c1-17-4-7-20-22-13-23-21-8-5-18(19-6-9-29(35)28(12-19)34(36,37)38)11-25(21)33(31(16-40)42-3)27(23)14-26(22)32(24(20)10-17)30(15-39)41-2;1-18-4-6-19(7-5-18)20-8-10-22-24-14-25-23-11-9-21(42-34(35,36)37)13-27(23)33(31(17-39)41-3)29(25)15-28(24)32(26(22)12-20)30(16-38)40-2;1-37-29(17-35)33-23-13-11-19-7-3-5-9-21(19)31(23)25-15-26-28(16-27(25)33)34(30(18-36)38-2)24-14-12-20-8-4-6-10-22(20)32(24)26;1-18-4-6-19(7-5-18)20-8-10-22-24-14-25-23-11-9-21(34)13-27(23)33(31(17-36)38-3)29(25)15-28(24)32(26(22)12-20)30(16-35)37-2;1-36-26(16-34)28-22-13-11-18-7-3-5-9-20(18)30(22)32-24(28)15-25-29(27(17-35)37-2)23-14-12-19-8-4-6-10-21(19)31(23)33(25)38-32;1-15(31(33,34)35)43-17-5-7-19-21-11-22-20-8-6-18(44-16(2)32(36,37)38)10-24(20)30(28(14-40)42-4)26(22)12-25(21)29(23(19)9-17)27(13-39)41-3;1-35-25(15-33)27-19-9-7-17-5-3-11-37-31(17)29(19)23-14-24-22(13-21(23)27)28(26(16-34)36-2)20-10-8-18-6-4-12-38-32(18)30(20)24;1-14-4-6-16-18(8-14)24(22(11-40)42-2)20-10-21-25(23(12-41)43-3)19-9-15(45-31(37,38)39)5-7-17(19)27(21)28(26(16)20)44-13-29(32,33)30(34,35)36;1-17-8-10-20-22-13-25-26(14-24(22)31(23(20)12-17)28(16-33)35-3)30(27(15-32)34-2)21-11-9-18-6-4-5-7-19(18)29(21)25/h4-14H,1H3;4-15H,1H3;3-16H;4-15H,1H3;3-15H;5-12,15-16H,1-2H3;3-14H;4-10H,13H2,1H3;4-14H,1H3/b32-30+,33-31?;32-30+,33-31-;33-29-,34-30+;32-30+,33-31-;28-26-,29-27+;29-27-,30-28+;27-25-,28-26+;24-22+,25-23-;30-27-,31-28+
InChIKeyISBKMADQDKDMLS-OETCPFPRSA-N
XLogP74.60
TPSA591.52 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms360
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004701.46
LogP ≤ 574.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze (2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-bis(1,1,1-trifluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[10-[cyano(isocyano)methylidene]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-5-(2,2,3,3,3-pentafluoropropoxy)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-bis(1,1,1-trifluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[10-[cyano(isocyano)methylidene]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-5-(2,2,3,3,3-pentafluoropropoxy)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile?
The IUPAC name of (2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-bis(1,1,1-trifluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[10-[cyano(isocyano)methylidene]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-5-(2,2,3,3,3-pentafluoropropoxy)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile (CID 158789276) is (2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-bis(1,1,1-trifluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[10-[cyano(isocyano)methylidene]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-5-(2,2,3,3,3-pentafluoropropoxy)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile.
What is the SMILES notation for (2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-bis(1,1,1-trifluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[10-[cyano(isocyano)methylidene]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-5-(2,2,3,3,3-pentafluoropropoxy)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile?
The canonical SMILES for (2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-bis(1,1,1-trifluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[10-[cyano(isocyano)methylidene]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-5-(2,2,3,3,3-pentafluoropropoxy)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile is [C-]#[N+]/C(C#N)=C1/c2cc(F)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2ccc(C)cc2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(OC(F)(F)F)ccc2-c2c1cc1c(c2OCC(F)(F)C(F)(F)F)-c2ccc(C)cc2/C1=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(OC(F)(F)F)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2ccc(C)cc2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc3c(cc2-c2c1ccc1ccccc21)-c1c(ccc2ccccc12)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc3c(cc2-c2c1ccc1cccnc21)-c1c(ccc2cccnc12)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1\c2cc(C)ccc2-c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])c1ccc2ccccc2c1-3.[C-]#[N+]/C(C#N)=C1\c2cc(OC(C)C(F)(F)F)ccc2-c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])c1cc(OC(C)C(F)(F)F)ccc1-3.[C-]#[N+]/C(C#N)=C1\c2cc3c(nc2-c2c1ccc1ccccc21)-c1c(ccc2ccccc12)/C3=C(/C#N)[N+]#[C-].[C-]#[N+]C(C#N)=C1c2cc(-c3ccc(F)c(C(F)(F)F)c3)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(C)ccc1-3.
What is the InChIKey of (2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-bis(1,1,1-trifluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[10-[cyano(isocyano)methylidene]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-5-(2,2,3,3,3-pentafluoropropoxy)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile?
The InChIKey is ISBKMADQDKDMLS-OETCPFPRSA-N. The full InChI is InChI=1S/C34H14F4N4.C34H15F3N4O.C34H14N4.C33H15FN4.C33H13N5.C32H16F6N4O2.C32H12N6.C31H12F8N4O2.C31H14N4/c1-17-4-7-20-22-13-23-21-8-5-18(19-6-9-29(35)28(12-19)34(36,37)38)11-25(21)33(31(16-40)42-3)27(23)14-26(22)32(24(20)10-17)30(15-39)41-2;1-18-4-6-19(7-5-18)20-8-10-22-24-14-25-23-11-9-21(42-34(35,36)37)13-27(23)33(31(17-39)41-3)29(25)15-28(24)32(26(22)12-20)30(16-38)40-2;1-37-29(17-35)33-23-13-11-19-7-3-5-9-21(19)31(23)25-15-26-28(16-27(25)33)34(30(18-36)38-2)24-14-12-20-8-4-6-10-22(20)32(24)26;1-18-4-6-19(7-5-18)20-8-10-22-24-14-25-23-11-9-21(34)13-27(23)33(31(17-36)38-3)29(25)15-28(24)32(26(22)12-20)30(16-35)37-2;1-36-26(16-34)28-22-13-11-18-7-3-5-9-20(18)30(22)32-24(28)15-25-29(27(17-35)37-2)23-14-12-19-8-4-6-10-21(19)31(23)33(25)38-32;1-15(31(33,34)35)43-17-5-7-19-21-11-22-20-8-6-18(44-16(2)32(36,37)38)10-24(20)30(28(14-40)42-4)26(22)12-25(21)29(23(19)9-17)27(13-39)41-3;1-35-25(15-33)27-19-9-7-17-5-3-11-37-31(17)29(19)23-14-24-22(13-21(23)27)28(26(16-34)36-2)20-10-8-18-6-4-12-38-32(18)30(20)24;1-14-4-6-16-18(8-14)24(22(11-40)42-2)20-10-21-25(23(12-41)43-3)19-9-15(45-31(37,38)39)5-7-17(19)27(21)28(26(16)20)44-13-29(32,33)30(34,35)36;1-17-8-10-20-22-13-25-26(14-24(22)31(23(20)12-17)28(16-33)35-3)30(27(15-32)34-2)21-11-9-18-6-4-5-7-19(18)29(21)25/h4-14H,1H3;4-15H,1H3;3-16H;4-15H,1H3;3-15H;5-12,15-16H,1-2H3;3-14H;4-10H,13H2,1H3;4-14H,1H3/b32-30+,33-31?;32-30+,33-31-;33-29-,34-30+;32-30+,33-31-;28-26-,29-27+;29-27-,30-28+;27-25-,28-26+;24-22+,25-23-;30-27-,31-28+.
What are the key properties of (2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-bis(1,1,1-trifluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[10-[cyano(isocyano)methylidene]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-5-(2,2,3,3,3-pentafluoropropoxy)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile?
(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-bis(1,1,1-trifluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[10-[cyano(isocyano)methylidene]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-5-(2,2,3,3,3-pentafluoropropoxy)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile has a molecular weight of 4701.46 g/mol, XLogP of 74.60, 12 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-bis(1,1,1-trifluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[10-[cyano(isocyano)methylidene]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-5-(2,2,3,3,3-pentafluoropropoxy)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile is sourced from PubChem (CID 158789276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).