3,6,7,10,13,16,17,20,23,26,27,30-dodecafluoro-5,8,15,18,25,28-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 166870449

IUPAC3,6,7,10,13,16,17,20,23,26,27,30-dodecafluoro-5,8,15,18,25,28-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
SMILESFc1nc2c(F)c3c4c(F)c5nc(F)c(F)nc5c(F)c4c4c(F)c5nc(F)c(F)nc5c(F)c4c3c(F)c2nc1F
InChIInChI=1S/C24F12N6/c25-7-1-2(8(26)14-13(7)37-19(31)20(32)38-14)4-6(12(30)18-17(11(4)29)41-23(35)24(36)42-18)5-3(1)9(27)15-16(10(5)28)40-22(34)21(33)39-15
InChIKeyRYDYGXKVWSJGGK-UHFFFAOYSA-N
MW600.28 g/mol
LogP6.64
Rot. Bonds

About 3,6,7,10,13,16,17,20,23,26,27,30-dodecafluoro-5,8,15,18,25,28-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

3,6,7,10,13,16,17,20,23,26,27,30-dodecafluoro-5,8,15,18,25,28-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 166870449) has the molecular formula C24F12N6 and a molecular weight of 600.28 g/mol. Its IUPAC name is 3,6,7,10,13,16,17,20,23,26,27,30-dodecafluoro-5,8,15,18,25,28-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 Name3,6,7,10,13,16,17,20,23,26,27,30-dodecafluoro-5,8,15,18,25,28-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 CID166870449
Molecular FormulaC24F12N6
Molecular Weight600.28 g/mol
Exact Mass600.00
IUPAC Name3,6,7,10,13,16,17,20,23,26,27,30-dodecafluoro-5,8,15,18,25,28-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
SMILESFc1nc2c(F)c3c4c(F)c5nc(F)c(F)nc5c(F)c4c4c(F)c5nc(F)c(F)nc5c(F)c4c3c(F)c2nc1F
InChIInChI=1S/C24F12N6/c25-7-1-2(8(26)14-13(7)37-19(31)20(32)38-14)4-6(12(30)18-17(11(4)29)41-23(35)24(36)42-18)5-3(1)9(27)15-16(10(5)28)40-22(34)21(33)39-15
InChIKeyRYDYGXKVWSJGGK-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': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,6,7,10,13,16,17,20,23,26,27,30-dodecafluoro-5,8,15,18,25,28-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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Related Compounds

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6,7,22,23-tetrafluoro-14,15-dimethyl-3,5,8,10,13,16,19,21,24,26-decazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
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Frequently Asked Questions

What is the IUPAC name of 3,6,7,10,13,16,17,20,23,26,27,30-dodecafluoro-5,8,15,18,25,28-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 3,6,7,10,13,16,17,20,23,26,27,30-dodecafluoro-5,8,15,18,25,28-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 166870449) is 3,6,7,10,13,16,17,20,23,26,27,30-dodecafluoro-5,8,15,18,25,28-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 3,6,7,10,13,16,17,20,23,26,27,30-dodecafluoro-5,8,15,18,25,28-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 3,6,7,10,13,16,17,20,23,26,27,30-dodecafluoro-5,8,15,18,25,28-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 Fc1nc2c(F)c3c4c(F)c5nc(F)c(F)nc5c(F)c4c4c(F)c5nc(F)c(F)nc5c(F)c4c3c(F)c2nc1F.
What is the InChIKey of 3,6,7,10,13,16,17,20,23,26,27,30-dodecafluoro-5,8,15,18,25,28-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 RYDYGXKVWSJGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24F12N6/c25-7-1-2(8(26)14-13(7)37-19(31)20(32)38-14)4-6(12(30)18-17(11(4)29)41-23(35)24(36)42-18)5-3(1)9(27)15-16(10(5)28)40-22(34)21(33)39-15.
What are the key properties of 3,6,7,10,13,16,17,20,23,26,27,30-dodecafluoro-5,8,15,18,25,28-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?
3,6,7,10,13,16,17,20,23,26,27,30-dodecafluoro-5,8,15,18,25,28-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 3,6,7,10,13,16,17,20,23,26,27,30-dodecafluoro-5,8,15,18,25,28-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 166870449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).