About 5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[[16-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;N-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),6,12,14(18),16-heptaen-6-yl]thiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[16-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[16-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione
5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[[16-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;N-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),6,12,14(18),16-heptaen-6-yl]thiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[16-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[16-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione (PubChem CID 164950445) has the molecular formula C260H158F6N16O32S14
and a molecular weight of 4581.13 g/mol. Its IUPAC name is 5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[[16-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;N-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),6,12,14(18),16-heptaen-6-yl]thiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[16-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[16-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione.
Frequently Asked Questions
What is the IUPAC name of 5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[[16-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;N-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),6,12,14(18),16-heptaen-6-yl]thiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[16-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[16-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione?
The IUPAC name of 5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[[16-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;N-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),6,12,14(18),16-heptaen-6-yl]thiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[16-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[16-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione (CID 164950445) is 5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[[16-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;N-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),6,12,14(18),16-heptaen-6-yl]thiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[16-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[16-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione.
What is the SMILES notation for 5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[[16-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;N-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),6,12,14(18),16-heptaen-6-yl]thiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[16-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[16-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione?
The canonical SMILES for 5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[[16-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;N-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),6,12,14(18),16-heptaen-6-yl]thiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[16-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[16-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione is CC1(C)Oc2cc3c(cc2-c2sc(/C=C4\C(=O)C(=O)c5cc(C(F)(F)F)ccc54)cc21)OC(C)(C)c1cc(/C=C2\C(=O)C(=O)c4cc(C(F)(F)F)ccc42)sc1-3.CC1(C)Oc2cc3c(cc2-c2sc(C=C4C(=O)c5cc6cc7ccccc7cc6cc5C4=O)cc21)OC(C)(C)c1cc(C=C2C(=O)c4cc5cc6ccccc6cc5cc4C2=O)sc1-3.CC1(C)Oc2cc3c(cc2-c2sc(C=C4C(=O)c5cc6ccccc6cc5C4=O)cc21)OC(C)(C)c1cc(C=C2C(=O)c4cc5ccccc5cc4C2=O)sc1-3.CC1=C(C#N)C(=O)N(C)C(=O)C1=Nc1cc2c(s1)-c1cc3c(cc1OC2(C)C)-c1sc(N=C2C(=O)N(C)C(=O)C(C#N)=C2C)cc1C(C)(C)O3.[C-]#[N+]C(C#N)=Nc1ccc(-c2cc3c(s2)-c2cc4c(cc2OC3(C)C)-c2sc(-c3ccc(N=C(C#N)C#N)s3)cc2C(C)(C)O4)s1.[C-]#[N+]c1cc2c(cc1C#N)C(=O)/C(=C/c1cc3c(s1)-c1cc4c(cc1OC3(C)C)-c1sc(C=C3C(=O)c5cc(C#N)c(C#N)cc5C3=O)cc1C(C)(C)O4)C2=O.
What is the InChIKey of 5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[[16-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;N-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),6,12,14(18),16-heptaen-6-yl]thiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[16-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[16-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione?
The InChIKey is ALMCCVPKTDAYRM-CKCCPZCMSA-N. The full InChI is InChI=1S/C56H34O6S2.C48H30O6S2.C44H22N4O6S2.C42H24F6O6S2.C36H28N6O6S2.C34H20N6O2S4/c1-55(2)45-23-35(21-43-49(57)37-17-31-13-27-9-5-6-10-28(27)14-32(31)18-38(37)50(43)58)63-53(45)41-26-48-42(25-47(41)61-55)54-46(56(3,4)62-48)24-36(64-54)22-44-51(59)39-19-33-15-29-11-7-8-12-30(29)16-34(33)20-40(39)52(44)60;1-47(2)37-19-27(17-35-41(49)29-13-23-9-5-6-10-24(23)14-30(29)42(35)50)55-45(37)33-22-40-34(21-39(33)53-47)46-38(48(3,4)54-40)20-28(56-46)18-36-43(51)31-15-25-11-7-8-12-26(25)16-32(31)44(36)52;1-43(2)32-11-22(9-30-37(49)24-6-19(16-45)20(17-46)7-25(24)38(30)50)55-41(32)28-14-36-29(15-35(28)53-43)42-33(44(3,4)54-36)12-23(56-42)10-31-39(51)26-8-21(18-47)34(48-5)13-27(26)40(31)52;1-39(2)29-13-19(11-25-21-7-5-17(41(43,44)45)9-23(21)33(49)35(25)51)55-37(29)27-16-32-28(15-31(27)53-39)38-30(40(3,4)54-32)14-20(56-38)12-26-22-8-6-18(42(46,47)48)10-24(22)34(50)36(26)52;1-15-19(13-37)31(43)41(7)33(45)27(15)39-25-11-21-29(49-25)17-9-24-18(10-23(17)47-35(21,3)4)30-22(36(5,6)48-24)12-26(50-30)40-28-16(2)20(14-38)32(44)42(8)34(28)46;1-33(2)20-12-26(24-6-8-29(43-24)39-17(14-35)15-36)45-31(20)18-10-23-19(11-22(18)41-33)32-21(34(3,4)42-23)13-27(46-32)25-7-9-30(44-25)40-28(16-37)38-5/h5-26H,1-4H3;5-22H,1-4H3;6-15H,1-4H3;5-16H,1-4H3;9-12H,1-8H3;6-13H,1-4H3/b;;31-10-;25-11-,26-12-;;.
What are the key properties of 5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[[16-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;N-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),6,12,14(18),16-heptaen-6-yl]thiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[16-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[16-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione?
5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[[16-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;N-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),6,12,14(18),16-heptaen-6-yl]thiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[16-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[16-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione has a molecular weight of 4581.13 g/mol, XLogP of 62.77, 14 rotatable bonds, 0 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[16-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)amino]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]imino]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile;2-[[16-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-1,3-dioxoindene-5,6-dicarbonitrile;N-[5-[16-[5-(dicyanomethylideneamino)thiophen-2-yl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),6,12,14(18),16-heptaen-6-yl]thiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[16-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[16-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(3Z)-3-[[16-[(Z)-[2,3-dioxo-5-(trifluoromethyl)inden-1-ylidene]methyl]-9,9,19,19-tetramethyl-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),6,11,14(18),16-heptaen-6-yl]methylidene]-6-(trifluoromethyl)indene-1,2-dione is sourced from PubChem (CID 164950445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).