5,6,7,8,15,16,17,18,25,26,27,28-dodecafluoro-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene

C24F12N6 — CID 87361080

IUPAC5,6,7,8,15,16,17,18,25,26,27,28-dodecafluoro-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene
SMILESFc1c(F)c(F)c2nc3c(nc2c1F)c1nc2c(F)c(F)c(F)c(F)c2nc1c1nc2c(F)c(F)c(F)c(F)c2nc31
InChIInChI=1S/C24F12N6/c25-1-2(26)8(32)14-13(7(1)31)37-19-20(38-14)22-24(42-18-12(36)6(30)5(29)11(35)17(18)40-22)23-21(19)39-15-9(33)3(27)4(28)10(34)16(15)41-23
InChIKeyFEUPITNMXPIMRI-UHFFFAOYSA-N
MW600.28 g/mol
LogP6.64
Rot. Bonds

About 5,6,7,8,15,16,17,18,25,26,27,28-dodecafluoro-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene

5,6,7,8,15,16,17,18,25,26,27,28-dodecafluoro-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene (PubChem CID 87361080) has the molecular formula C24F12N6 and a molecular weight of 600.28 g/mol. Its IUPAC name is 5,6,7,8,15,16,17,18,25,26,27,28-dodecafluoro-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene.

Molecular Properties

Compound Name5,6,7,8,15,16,17,18,25,26,27,28-dodecafluoro-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene
PubChem CID87361080
Molecular FormulaC24F12N6
Molecular Weight600.28 g/mol
Exact Mass600.00
IUPAC Name5,6,7,8,15,16,17,18,25,26,27,28-dodecafluoro-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene
SMILESFc1c(F)c(F)c2nc3c(nc2c1F)c1nc2c(F)c(F)c(F)c(F)c2nc1c1nc2c(F)c(F)c(F)c(F)c2nc31
InChIInChI=1S/C24F12N6/c25-1-2(26)8(32)14-13(7(1)31)37-19-20(38-14)22-24(42-18-12(36)6(30)5(29)11(35)17(18)40-22)23-21(19)39-15-9(33)3(27)4(28)10(34)16(15)41-23
InChIKeyFEUPITNMXPIMRI-UHFFFAOYSA-N
XLogP6.64
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.28
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5,6,7,8,15,16,17,18,25,26,27,28-dodecafluoro-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8,15,16,17,18,25,26,27,28-dodecafluoro-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene?
The IUPAC name of 5,6,7,8,15,16,17,18,25,26,27,28-dodecafluoro-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene (CID 87361080) is 5,6,7,8,15,16,17,18,25,26,27,28-dodecafluoro-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene.
What is the SMILES notation for 5,6,7,8,15,16,17,18,25,26,27,28-dodecafluoro-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene?
The canonical SMILES for 5,6,7,8,15,16,17,18,25,26,27,28-dodecafluoro-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene is Fc1c(F)c(F)c2nc3c(nc2c1F)c1nc2c(F)c(F)c(F)c(F)c2nc1c1nc2c(F)c(F)c(F)c(F)c2nc31.
What is the InChIKey of 5,6,7,8,15,16,17,18,25,26,27,28-dodecafluoro-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene?
The InChIKey is FEUPITNMXPIMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24F12N6/c25-1-2(26)8(32)14-13(7(1)31)37-19-20(38-14)22-24(42-18-12(36)6(30)5(29)11(35)17(18)40-22)23-21(19)39-15-9(33)3(27)4(28)10(34)16(15)41-23.
What are the key properties of 5,6,7,8,15,16,17,18,25,26,27,28-dodecafluoro-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene?
5,6,7,8,15,16,17,18,25,26,27,28-dodecafluoro-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene has a molecular weight of 600.28 g/mol, XLogP of 6.64, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8,15,16,17,18,25,26,27,28-dodecafluoro-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene is sourced from PubChem (CID 87361080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).