20,23,25,26,27,28-hexafluoro-3,5,6,7,8,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2,4(9),5,7,10,12,14,16,18,20,23,25,27,29-pentadecaene

C24H6F6N6 — CID 170905419

IUPAC20,23,25,26,27,28-hexafluoro-3,5,6,7,8,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2,4(9),5,7,10,12,14,16,18,20,23,25,27,29-pentadecaene
SMILESFc1c(F)c(F)c2c(F)c3c(nc2c1F)c1nc2nnnnc2cc1c1cc2ccccc2c(F)c13
InChIInChI=1S/C24H6F6N6/c25-15-8-4-2-1-3-7(8)5-9-10-6-11-24(34-36-35-33-11)32-21(10)23-13(12(9)15)16(26)14-17(27)18(28)19(29)20(30)22(14)31-23/h1-6H
InChIKeyIQBDATRTLIZUOI-UHFFFAOYSA-N
MW492.34 g/mol
LogP5.81
Rot. Bonds

About 20,23,25,26,27,28-hexafluoro-3,5,6,7,8,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2,4(9),5,7,10,12,14,16,18,20,23,25,27,29-pentadecaene

20,23,25,26,27,28-hexafluoro-3,5,6,7,8,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2,4(9),5,7,10,12,14,16,18,20,23,25,27,29-pentadecaene (PubChem CID 170905419) has the molecular formula C24H6F6N6 and a molecular weight of 492.34 g/mol. Its IUPAC name is 20,23,25,26,27,28-hexafluoro-3,5,6,7,8,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2,4(9),5,7,10,12,14,16,18,20,23,25,27,29-pentadecaene.

Molecular Properties

Compound Name20,23,25,26,27,28-hexafluoro-3,5,6,7,8,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2,4(9),5,7,10,12,14,16,18,20,23,25,27,29-pentadecaene
PubChem CID170905419
Molecular FormulaC24H6F6N6
Molecular Weight492.34 g/mol
Exact Mass492.06
IUPAC Name20,23,25,26,27,28-hexafluoro-3,5,6,7,8,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2,4(9),5,7,10,12,14,16,18,20,23,25,27,29-pentadecaene
SMILESFc1c(F)c(F)c2c(F)c3c(nc2c1F)c1nc2nnnnc2cc1c1cc2ccccc2c(F)c13
InChIInChI=1S/C24H6F6N6/c25-15-8-4-2-1-3-7(8)5-9-10-6-11-24(34-36-35-33-11)32-21(10)23-13(12(9)15)16(26)14-17(27)18(28)19(29)20(30)22(14)31-23/h1-6H
InChIKeyIQBDATRTLIZUOI-UHFFFAOYSA-N
XLogP5.81
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.34
LogP ≤ 55.81
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 20,23,25,26,27,28-hexafluoro-3,5,6,7,8,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2,4(9),5,7,10,12,14,16,18,20,23,25,27,29-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 20,23,25,26,27,28-hexafluoro-3,5,6,7,8,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2,4(9),5,7,10,12,14,16,18,20,23,25,27,29-pentadecaene?
The IUPAC name of 20,23,25,26,27,28-hexafluoro-3,5,6,7,8,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2,4(9),5,7,10,12,14,16,18,20,23,25,27,29-pentadecaene (CID 170905419) is 20,23,25,26,27,28-hexafluoro-3,5,6,7,8,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2,4(9),5,7,10,12,14,16,18,20,23,25,27,29-pentadecaene.
What is the SMILES notation for 20,23,25,26,27,28-hexafluoro-3,5,6,7,8,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2,4(9),5,7,10,12,14,16,18,20,23,25,27,29-pentadecaene?
The canonical SMILES for 20,23,25,26,27,28-hexafluoro-3,5,6,7,8,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2,4(9),5,7,10,12,14,16,18,20,23,25,27,29-pentadecaene is Fc1c(F)c(F)c2c(F)c3c(nc2c1F)c1nc2nnnnc2cc1c1cc2ccccc2c(F)c13.
What is the InChIKey of 20,23,25,26,27,28-hexafluoro-3,5,6,7,8,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2,4(9),5,7,10,12,14,16,18,20,23,25,27,29-pentadecaene?
The InChIKey is IQBDATRTLIZUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H6F6N6/c25-15-8-4-2-1-3-7(8)5-9-10-6-11-24(34-36-35-33-11)32-21(10)23-13(12(9)15)16(26)14-17(27)18(28)19(29)20(30)22(14)31-23/h1-6H.
What are the key properties of 20,23,25,26,27,28-hexafluoro-3,5,6,7,8,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2,4(9),5,7,10,12,14,16,18,20,23,25,27,29-pentadecaene?
20,23,25,26,27,28-hexafluoro-3,5,6,7,8,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2,4(9),5,7,10,12,14,16,18,20,23,25,27,29-pentadecaene has a molecular weight of 492.34 g/mol, XLogP of 5.81, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 20,23,25,26,27,28-hexafluoro-3,5,6,7,8,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2,4(9),5,7,10,12,14,16,18,20,23,25,27,29-pentadecaene is sourced from PubChem (CID 170905419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).