4-[(Z)-2-cyano-1-[3-(3,5-difluoro-4-methylphenyl)-4-isocyanophenyl]-2-isocyanoethenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]benzonitrile;[2-cyano-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dipyridin-4-yl-9H-fluoren-9-yl)cyanamide;(9Z)-9-[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-6-isocyano-7-(4-isocyano-3-methylphenyl)fluorene-3-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4-difluoro-5-methylphenyl)-2-[3,4-difluoro-5-(trifluoromethoxy)phenyl]-6-isocyanofluorene-3-carbonitrile

C150H55F25N26O2 — CID 159856263

About 4-[(Z)-2-cyano-1-[3-(3,5-difluoro-4-methylphenyl)-4-isocyanophenyl]-2-isocyanoethenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]benzonitrile;[2-cyano-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dipyridin-4-yl-9H-fluoren-9-yl)cyanamide;(9Z)-9-[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-6-isocyano-7-(4-isocyano-3-methylphenyl)fluorene-3-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4-difluoro-5-methylphenyl)-2-[3,4-difluoro-5-(trifluoromethoxy)phenyl]-6-isocyanofluorene-3-carbonitrile

4-[(Z)-2-cyano-1-[3-(3,5-difluoro-4-methylphenyl)-4-isocyanophenyl]-2-isocyanoethenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]benzonitrile;[2-cyano-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dipyridin-4-yl-9H-fluoren-9-yl)cyanamide;(9Z)-9-[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-6-isocyano-7-(4-isocyano-3-methylphenyl)fluorene-3-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4-difluoro-5-methylphenyl)-2-[3,4-difluoro-5-(trifluoromethoxy)phenyl]-6-isocyanofluorene-3-carbonitrile (PubChem CID 159856263) has the molecular formula C150H55F25N26O2 and a molecular weight of 2728.22 g/mol. Its IUPAC name is 4-[(Z)-2-cyano-1-[3-(3,5-difluoro-4-methylphenyl)-4-isocyanophenyl]-2-isocyanoethenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]benzonitrile;[2-cyano-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dipyridin-4-yl-9H-fluoren-9-yl)cyanamide;(9Z)-9-[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-6-isocyano-7-(4-isocyano-3-methylphenyl)fluorene-3-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4-difluoro-5-methylphenyl)-2-[3,4-difluoro-5-(trifluoromethoxy)phenyl]-6-isocyanofluorene-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[(Z)-2-cyano-1-[3-(3,5-difluoro-4-methylphenyl)-4-isocyanophenyl]-2-isocyanoethenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]benzonitrile;[2-cyano-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dipyridin-4-yl-9H-fluoren-9-yl)cyanamide;(9Z)-9-[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-6-isocyano-7-(4-isocyano-3-methylphenyl)fluorene-3-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4-difluoro-5-methylphenyl)-2-[3,4-difluoro-5-(trifluoromethoxy)phenyl]-6-isocyanofluorene-3-carbonitrile
• PubChem CID: 159856263
• Molecular Formula: C150H55F25N26O2
• Molecular Weight: 2728.22 g/mol
• Exact Mass: 2726.46
• IUPAC Name: 4-[(Z)-2-cyano-1-[3-(3,5-difluoro-4-methylphenyl)-4-isocyanophenyl]-2-isocyanoethenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]benzonitrile;[2-cyano-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dipyridin-4-yl-9H-fluoren-9-yl)cyanamide;(9Z)-9-[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-6-isocyano-7-(4-isocyano-3-methylphenyl)fluorene-3-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4-difluoro-5-methylphenyl)-2-[3,4-difluoro-5-(trifluoromethoxy)phenyl]-6-isocyanofluorene-3-carbonitrile
• SMILES: [C-]#[N+]/C(C#N)=C(/c1ccc(C#N)c(-c2cc(F)c(OC(F)(F)F)c(F)c2)c1)c1ccc([N+]#[C-])c(-c2cc(F)c(C)c(F)c2)c1.[C-]#[N+]/C(C#N)=C1/c2cc(-c3cc(F)c(F)c(OC(F)(F)F)c3)c(C#N)cc2-c2cc([N+]#[C-])c(-c3cc(C)c(F)c(F)c3)cc21.[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(C#N)c(C(F)(F)F)c3)c(C#N)cc2-c2cc([N+]#[C-])c(-c3ccc([N+]#[C-])c(C)c3)cc21.[C-]#[N+]c1cc2c(cc1-c1c(F)c(F)nc(F)c1F)-c1cc(-c3c(F)c(F)nc(F)c3F)c(C#N)cc1/C2=N/C#N.[C-]#[N+]c1cc2c(cc1-c1ccncc1)-c1cc(-c3ccncc3)c(C#N)cc1C2NC#N
• InChI: InChI=1S/C34H13F3N6.C32H11F7N4O.C32H13F7N4O.C26H4F8N6.C26H14N6/c1-18-9-19(7-8-30(18)41-2)24-13-28-26(14-31(24)42-3)25-10-22(16-39)23(12-27(25)33(28)32(17-40)43-4)20-5-6-21(15-38)29(11-20)34(35,36)37;1-14-4-15(6-24(33)30(14)35)19-10-23-21(11-26(19)42-2)20-5-17(12-40)18(9-22(20)29(23)27(13-41)43-3)16-7-25(34)31(36)28(8-16)44-32(37,38)39;1-16-24(33)10-21(11-25(16)34)23-9-18(6-7-28(23)42-2)30(29(15-41)43-3)17-4-5-19(14-40)22(8-17)20-12-26(35)31(27(36)13-20)44-32(37,38)39;1-37-15-5-13-11(4-14(15)17-20(29)25(33)40-26(34)21(17)30)10-3-9(8(6-35)2-12(10)22(13)38-7-36)16-18(27)23(31)39-24(32)19(16)28;1-29-25-13-24-22(12-20(25)17-4-8-31-9-5-17)21-11-19(16-2-6-30-7-3-16)18(14-27)10-23(21)26(24)32-15-28/h5-14H,1H3;4-11H,1H3;4-13H,1H3;2-5H;2-13,26,32H/b33-32-;29-27-;30-29-;38-22-
• InChIKey: NQOLETSCHXDAMH-WGWBMHIDSA-N
• XLogP: 40.19
• TPSA: 395.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2728.22
LogP ≤ 5	40.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-cyano-1-[3-(3,5-difluoro-4-methylphenyl)-4-isocyanophenyl]-2-isocyanoethenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]benzonitrile;[2-cyano-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dipyridin-4-yl-9H-fluoren-9-yl)cyanamide;(9Z)-9-[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-6-isocyano-7-(4-isocyano-3-methylphenyl)fluorene-3-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4-difluoro-5-methylphenyl)-2-[3,4-difluoro-5-(trifluoromethoxy)phenyl]-6-isocyanofluorene-3-carbonitrile?

The IUPAC name of 4-[(Z)-2-cyano-1-[3-(3,5-difluoro-4-methylphenyl)-4-isocyanophenyl]-2-isocyanoethenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]benzonitrile;[2-cyano-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dipyridin-4-yl-9H-fluoren-9-yl)cyanamide;(9Z)-9-[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-6-isocyano-7-(4-isocyano-3-methylphenyl)fluorene-3-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4-difluoro-5-methylphenyl)-2-[3,4-difluoro-5-(trifluoromethoxy)phenyl]-6-isocyanofluorene-3-carbonitrile (CID 159856263) is 4-[(Z)-2-cyano-1-[3-(3,5-difluoro-4-methylphenyl)-4-isocyanophenyl]-2-isocyanoethenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]benzonitrile;[2-cyano-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dipyridin-4-yl-9H-fluoren-9-yl)cyanamide;(9Z)-9-[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-6-isocyano-7-(4-isocyano-3-methylphenyl)fluorene-3-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4-difluoro-5-methylphenyl)-2-[3,4-difluoro-5-(trifluoromethoxy)phenyl]-6-isocyanofluorene-3-carbonitrile.

What is the SMILES notation for 4-[(Z)-2-cyano-1-[3-(3,5-difluoro-4-methylphenyl)-4-isocyanophenyl]-2-isocyanoethenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]benzonitrile;[2-cyano-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dipyridin-4-yl-9H-fluoren-9-yl)cyanamide;(9Z)-9-[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-6-isocyano-7-(4-isocyano-3-methylphenyl)fluorene-3-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4-difluoro-5-methylphenyl)-2-[3,4-difluoro-5-(trifluoromethoxy)phenyl]-6-isocyanofluorene-3-carbonitrile?

The canonical SMILES for 4-[(Z)-2-cyano-1-[3-(3,5-difluoro-4-methylphenyl)-4-isocyanophenyl]-2-isocyanoethenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]benzonitrile;[2-cyano-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dipyridin-4-yl-9H-fluoren-9-yl)cyanamide;(9Z)-9-[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-6-isocyano-7-(4-isocyano-3-methylphenyl)fluorene-3-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4-difluoro-5-methylphenyl)-2-[3,4-difluoro-5-(trifluoromethoxy)phenyl]-6-isocyanofluorene-3-carbonitrile is [C-]#[N+]/C(C#N)=C(/c1ccc(C#N)c(-c2cc(F)c(OC(F)(F)F)c(F)c2)c1)c1ccc([N+]#[C-])c(-c2cc(F)c(C)c(F)c2)c1.[C-]#[N+]/C(C#N)=C1/c2cc(-c3cc(F)c(F)c(OC(F)(F)F)c3)c(C#N)cc2-c2cc([N+]#[C-])c(-c3cc(C)c(F)c(F)c3)cc21.[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(C#N)c(C(F)(F)F)c3)c(C#N)cc2-c2cc([N+]#[C-])c(-c3ccc([N+]#[C-])c(C)c3)cc21.[C-]#[N+]c1cc2c(cc1-c1c(F)c(F)nc(F)c1F)-c1cc(-c3c(F)c(F)nc(F)c3F)c(C#N)cc1/C2=N/C#N.[C-]#[N+]c1cc2c(cc1-c1ccncc1)-c1cc(-c3ccncc3)c(C#N)cc1C2NC#N.

What is the InChIKey of 4-[(Z)-2-cyano-1-[3-(3,5-difluoro-4-methylphenyl)-4-isocyanophenyl]-2-isocyanoethenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]benzonitrile;[2-cyano-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dipyridin-4-yl-9H-fluoren-9-yl)cyanamide;(9Z)-9-[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-6-isocyano-7-(4-isocyano-3-methylphenyl)fluorene-3-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4-difluoro-5-methylphenyl)-2-[3,4-difluoro-5-(trifluoromethoxy)phenyl]-6-isocyanofluorene-3-carbonitrile?

The InChIKey is NQOLETSCHXDAMH-WGWBMHIDSA-N. The full InChI is InChI=1S/C34H13F3N6.C32H11F7N4O.C32H13F7N4O.C26H4F8N6.C26H14N6/c1-18-9-19(7-8-30(18)41-2)24-13-28-26(14-31(24)42-3)25-10-22(16-39)23(12-27(25)33(28)32(17-40)43-4)20-5-6-21(15-38)29(11-20)34(35,36)37;1-14-4-15(6-24(33)30(14)35)19-10-23-21(11-26(19)42-2)20-5-17(12-40)18(9-22(20)29(23)27(13-41)43-3)16-7-25(34)31(36)28(8-16)44-32(37,38)39;1-16-24(33)10-21(11-25(16)34)23-9-18(6-7-28(23)42-2)30(29(15-41)43-3)17-4-5-19(14-40)22(8-17)20-12-26(35)31(27(36)13-20)44-32(37,38)39;1-37-15-5-13-11(4-14(15)17-20(29)25(33)40-26(34)21(17)30)10-3-9(8(6-35)2-12(10)22(13)38-7-36)16-18(27)23(31)39-24(32)19(16)28;1-29-25-13-24-22(12-20(25)17-4-8-31-9-5-17)21-11-19(16-2-6-30-7-3-16)18(14-27)10-23(21)26(24)32-15-28/h5-14H,1H3;4-11H,1H3;4-13H,1H3;2-5H;2-13,26,32H/b33-32-;29-27-;30-29-;38-22-;.

What are the key properties of 4-[(Z)-2-cyano-1-[3-(3,5-difluoro-4-methylphenyl)-4-isocyanophenyl]-2-isocyanoethenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]benzonitrile;[2-cyano-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dipyridin-4-yl-9H-fluoren-9-yl)cyanamide;(9Z)-9-[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-6-isocyano-7-(4-isocyano-3-methylphenyl)fluorene-3-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4-difluoro-5-methylphenyl)-2-[3,4-difluoro-5-(trifluoromethoxy)phenyl]-6-isocyanofluorene-3-carbonitrile?

4-[(Z)-2-cyano-1-[3-(3,5-difluoro-4-methylphenyl)-4-isocyanophenyl]-2-isocyanoethenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]benzonitrile;[2-cyano-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dipyridin-4-yl-9H-fluoren-9-yl)cyanamide;(9Z)-9-[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-6-isocyano-7-(4-isocyano-3-methylphenyl)fluorene-3-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4-difluoro-5-methylphenyl)-2-[3,4-difluoro-5-(trifluoromethoxy)phenyl]-6-isocyanofluorene-3-carbonitrile has a molecular weight of 2728.22 g/mol, XLogP of 40.19, 15 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(Z)-2-cyano-1-[3-(3,5-difluoro-4-methylphenyl)-4-isocyanophenyl]-2-isocyanoethenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]benzonitrile;[2-cyano-7-isocyano-3,6-bis(2,3,5,6-tetrafluoro-4-pyridinyl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dipyridin-4-yl-9H-fluoren-9-yl)cyanamide;(9Z)-9-[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-6-isocyano-7-(4-isocyano-3-methylphenyl)fluorene-3-carbonitrile;(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4-difluoro-5-methylphenyl)-2-[3,4-difluoro-5-(trifluoromethoxy)phenyl]-6-isocyanofluorene-3-carbonitrile is sourced from PubChem (CID 159856263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).