27-fluoro-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene-6,7,16,17-tetracarbonitrile

C24H5FN14 — CID 143591815

IUPAC27-fluoro-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene-6,7,16,17-tetracarbonitrile
SMILESN#Cc1nc2nc3c4c(c5nc6nc(C#N)c(C#N)nc6nc5c3nc2nc1C#N)=NC1CC(F)=CC=C1N=4
InChIInChI=1S/C24H5FN14/c25-8-1-2-9-10(3-8)31-16-15(30-9)17-19(38-23-21(36-17)32-11(4-26)13(6-28)34-23)20-18(16)37-22-24(39-20)35-14(7-29)12(5-27)33-22/h1-2,10H,3H2
InChIKeyHULWDEOYHVDWDP-UHFFFAOYSA-N
MW508.40 g/mol
LogP0.71
Rot. Bonds

About 27-fluoro-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene-6,7,16,17-tetracarbonitrile

27-fluoro-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene-6,7,16,17-tetracarbonitrile (PubChem CID 143591815) has the molecular formula C24H5FN14 and a molecular weight of 508.40 g/mol. Its IUPAC name is 27-fluoro-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene-6,7,16,17-tetracarbonitrile.

Molecular Properties

Compound Name27-fluoro-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene-6,7,16,17-tetracarbonitrile
PubChem CID143591815
Molecular FormulaC24H5FN14
Molecular Weight508.40 g/mol
Exact Mass508.08
IUPAC Name27-fluoro-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene-6,7,16,17-tetracarbonitrile
SMILESN#Cc1nc2nc3c4c(c5nc6nc(C#N)c(C#N)nc6nc5c3nc2nc1C#N)=NC1CC(F)=CC=C1N=4
InChIInChI=1S/C24H5FN14/c25-8-1-2-9-10(3-8)31-16-15(30-9)17-19(38-23-21(36-17)32-11(4-26)13(6-28)34-23)20-18(16)37-22-24(39-20)35-14(7-29)12(5-27)33-22/h1-2,10H,3H2
InChIKeyHULWDEOYHVDWDP-UHFFFAOYSA-N
XLogP0.71
TPSA223.00 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.40
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 27-fluoro-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene-6,7,16,17-tetracarbonitrile with MolForge

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Related Compounds

12-methyl-13-(methylideneamino)-3,5,8,10,15,17,20,22-octazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene-6,7,18,19-tetracarbonitrile
CID 143591828
17,26,27-triisocyano-3,5,8,10,13,15,18,20,23,25,28,30-dodecazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2,4,6,8,10,12,14,16,18,20,23,25,27,29-pentadecaene-6,7,16-tricarbonitrile
CID 59342888
4,5,10,11-tetramethyl-19-(2,3,4,5,6-pentafluorophenyl)-3,6,9,12,15,17,20,22-octazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene-18-carbonitrile
CID 170253127
4-fluoro-6-methylcyclohexa-1,3-diene-1-carbonitrile
CID 146341594
26,27-dichloro-29-methyl-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2,4,6,8,10,12,14,16,18,20,23,25,27-tetradecaene-6,7,16,17-tetracarbonitrile
CID 143591812
6,7,14,15,22,23-hexaphenoxy-3,5,8,10,13,16,19,21,24,26-decazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene;14-isocyano-7,15,23-triphenoxy-3,5,8,10,13,16,19,21,24,26-decazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene-6,22-dicarbonitrile;5,10,11-trifluoro-18,19-diisocyano-3,6,9,12,15,17,20,22-octazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene-4-carbonitrile;11,18,19-triisocyano-3,6,9,12,15,17,20,22-octazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-4,5,10-tricarbonitrile
CID 159071135
4-fluoro-6-formyl-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1-carbonitrile
CID 156862933
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15-octaene-4,5,10,11,16,17-hexacarbonitrile
CID 163593865
7-[5-(2,3-dicyano-10,10a-dihydropyrazino[2,3-b]quinoxalin-7-yl)-3-(2,3-dicyanopyrazino[2,3-b]quinoxalin-7-yl)-5-methylcyclohexa-1,3-dien-1-yl]pyrazino[2,3-b]quinoxaline-2,3-dicarbonitrile
CID 149476534
16,17-diisocyano-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11-tetracarbonitrile
CID 171445898
4,6,15,17-tetrafluoro-3,5,9,12,16,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8,10,12,15,17-nonaene-10,11-dicarbonitrile
CID 70451314
22,27-diisocyano-2,5,8,11,14,17,20,23,26,29-decazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene-6,7,12,13,21,28-hexacarbonitrile
CID 123955396

Frequently Asked Questions

What is the IUPAC name of 27-fluoro-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene-6,7,16,17-tetracarbonitrile?
The IUPAC name of 27-fluoro-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene-6,7,16,17-tetracarbonitrile (CID 143591815) is 27-fluoro-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene-6,7,16,17-tetracarbonitrile.
What is the SMILES notation for 27-fluoro-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene-6,7,16,17-tetracarbonitrile?
The canonical SMILES for 27-fluoro-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene-6,7,16,17-tetracarbonitrile is N#Cc1nc2nc3c4c(c5nc6nc(C#N)c(C#N)nc6nc5c3nc2nc1C#N)=NC1CC(F)=CC=C1N=4.
What is the InChIKey of 27-fluoro-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene-6,7,16,17-tetracarbonitrile?
The InChIKey is HULWDEOYHVDWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H5FN14/c25-8-1-2-9-10(3-8)31-16-15(30-9)17-19(38-23-21(36-17)32-11(4-26)13(6-28)34-23)20-18(16)37-22-24(39-20)35-14(7-29)12(5-27)33-22/h1-2,10H,3H2.
What are the key properties of 27-fluoro-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene-6,7,16,17-tetracarbonitrile?
27-fluoro-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene-6,7,16,17-tetracarbonitrile has a molecular weight of 508.40 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 27-fluoro-3,5,8,10,13,15,18,20,23,30-decazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene-6,7,16,17-tetracarbonitrile is sourced from PubChem (CID 143591815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).