2-[13-(dicyanomethylidene)-10,15,16,25-tetrafluoro-28-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene]propanedinitrile

C34H10F4N4 — CID 142501639

IUPAC2-[13-(dicyanomethylidene)-10,15,16,25-tetrafluoro-28-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene]propanedinitrile
SMILESN#CC(C#N)=C1c2cc(F)c3ccccc3c2-c2c1c(F)c(F)c1c2C(=C(C#N)C#N)c2cc(F)c3ccccc3c2-1
InChIInChI=1S/C34H10F4N4/c35-23-9-21-25(15(11-39)12-40)29-30-27-19-7-3-1-5-17(19)24(36)10-22(27)26(16(13-41)14-42)31(30)33(37)34(38)32(29)28(21)20-8-4-2-6-18(20)23/h1-10H
InChIKeyDLHDROWTULALTG-UHFFFAOYSA-N
MW550.47 g/mol
LogP8.21
Rot. Bonds

About 2-[13-(dicyanomethylidene)-10,15,16,25-tetrafluoro-28-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene]propanedinitrile

2-[13-(dicyanomethylidene)-10,15,16,25-tetrafluoro-28-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene]propanedinitrile (PubChem CID 142501639) has the molecular formula C34H10F4N4 and a molecular weight of 550.47 g/mol. Its IUPAC name is 2-[13-(dicyanomethylidene)-10,15,16,25-tetrafluoro-28-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene]propanedinitrile.

Molecular Properties

Compound Name2-[13-(dicyanomethylidene)-10,15,16,25-tetrafluoro-28-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene]propanedinitrile
PubChem CID142501639
Molecular FormulaC34H10F4N4
Molecular Weight550.47 g/mol
Exact Mass550.08
IUPAC Name2-[13-(dicyanomethylidene)-10,15,16,25-tetrafluoro-28-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene]propanedinitrile
SMILESN#CC(C#N)=C1c2cc(F)c3ccccc3c2-c2c1c(F)c(F)c1c2C(=C(C#N)C#N)c2cc(F)c3ccccc3c2-1
InChIInChI=1S/C34H10F4N4/c35-23-9-21-25(15(11-39)12-40)29-30-27-19-7-3-1-5-17(19)24(36)10-22(27)26(16(13-41)14-42)31(30)33(37)34(38)32(29)28(21)20-8-4-2-6-18(20)23/h1-10H
InChIKeyDLHDROWTULALTG-UHFFFAOYSA-N
XLogP8.21
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.47
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze 2-[13-(dicyanomethylidene)-10,15,16,25-tetrafluoro-28-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene]propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[13-(dicyanomethylidene)-10,15,16,25-tetrafluoro-28-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene]propanedinitrile;ethane
CID 142501638
(2E)-2-(10,15,16,25-tetrafluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene)propanenitrile
CID 154936776
13-(dicyanomethylidene)-28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-10,25-dicarbonitrile;2-(15,16-difluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-13-ylidene)propanedinitrile;2-(28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(10,15,16,25-tetrafluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene)propanedinitrile
CID 159651325
2-(2,4-difluoro-1,3-dimethoxyfluoren-9-ylidene)propanedinitrile
CID 23736483
9-(dicyanomethylidene)-3,6-bis(2,6-difluorophenyl)fluorene-2,7-dicarbonitrile
CID 154028917
2-[13-(dicyanomethylidene)-15,16-diazaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaen-28-ylidene]propanedinitrile
CID 154936566
2,6-bis(4-cyano-2,3,5-trifluorophenyl)-3,5-bis(dicyanomethylidene)-8-fluoro-s-indacene-1,7-dicarbonitrile
CID 175629055
2-[4,10-bis(2,3,4,5,6-pentafluorophenyl)-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-ylidene]propanedinitrile
CID 139205838
2-[(2E)-3-(cyanomethylidene)-5,6,7-trifluoro-2-indeno[1,2-b]pyridin-5-ylideneinden-1-ylidene]propanedinitrile
CID 174300480
1,4-difluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene
CID 87428689
1,4-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene
CID 87457826
2-(18,27-dioxo-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenylidene)propanedinitrile
CID 20603464

Frequently Asked Questions

What is the IUPAC name of 2-[13-(dicyanomethylidene)-10,15,16,25-tetrafluoro-28-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene]propanedinitrile?
The IUPAC name of 2-[13-(dicyanomethylidene)-10,15,16,25-tetrafluoro-28-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene]propanedinitrile (CID 142501639) is 2-[13-(dicyanomethylidene)-10,15,16,25-tetrafluoro-28-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene]propanedinitrile.
What is the SMILES notation for 2-[13-(dicyanomethylidene)-10,15,16,25-tetrafluoro-28-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene]propanedinitrile?
The canonical SMILES for 2-[13-(dicyanomethylidene)-10,15,16,25-tetrafluoro-28-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene]propanedinitrile is N#CC(C#N)=C1c2cc(F)c3ccccc3c2-c2c1c(F)c(F)c1c2C(=C(C#N)C#N)c2cc(F)c3ccccc3c2-1.
What is the InChIKey of 2-[13-(dicyanomethylidene)-10,15,16,25-tetrafluoro-28-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene]propanedinitrile?
The InChIKey is DLHDROWTULALTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H10F4N4/c35-23-9-21-25(15(11-39)12-40)29-30-27-19-7-3-1-5-17(19)24(36)10-22(27)26(16(13-41)14-42)31(30)33(37)34(38)32(29)28(21)20-8-4-2-6-18(20)23/h1-10H.
What are the key properties of 2-[13-(dicyanomethylidene)-10,15,16,25-tetrafluoro-28-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene]propanedinitrile?
2-[13-(dicyanomethylidene)-10,15,16,25-tetrafluoro-28-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene]propanedinitrile has a molecular weight of 550.47 g/mol, XLogP of 8.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[13-(dicyanomethylidene)-10,15,16,25-tetrafluoro-28-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene]propanedinitrile is sourced from PubChem (CID 142501639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).