10,15,21,25-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone

C24H6F4N2O4 — CID 58766233

IUPAC10,15,21,25-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
SMILESO=C1NC(=O)c2c(F)cc3c4cc(F)c5c6c(c(F)cc(c7cc(F)c1c2c73)c64)C(=O)NC5=O
InChIInChI=1S/C24H6F4N2O4/c25-9-1-5-6-2-10(26)17-20-14(6)8(4-12(28)18(20)24(34)30-23(17)33)7-3-11(27)16-19(13(5)7)15(9)21(31)29-22(16)32/h1-4H,(H,29,31,32)(H,30,33,34)
InChIKeyVZPYLZZDBUUNDE-UHFFFAOYSA-N
MW462.31 g/mol
LogP4.06
Rot. Bonds

About 10,15,21,25-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone

10,15,21,25-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone (PubChem CID 58766233) has the molecular formula C24H6F4N2O4 and a molecular weight of 462.31 g/mol. Its IUPAC name is 10,15,21,25-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone.

Molecular Properties

Compound Name10,15,21,25-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
PubChem CID58766233
Molecular FormulaC24H6F4N2O4
Molecular Weight462.31 g/mol
Exact Mass462.03
IUPAC Name10,15,21,25-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
SMILESO=C1NC(=O)c2c(F)cc3c4cc(F)c5c6c(c(F)cc(c7cc(F)c1c2c73)c64)C(=O)NC5=O
InChIInChI=1S/C24H6F4N2O4/c25-9-1-5-6-2-10(26)17-20-14(6)8(4-12(28)18(20)24(34)30-23(17)33)7-3-11(27)16-19(13(5)7)15(9)21(31)29-22(16)32/h1-4H,(H,29,31,32)(H,30,33,34)
InChIKeyVZPYLZZDBUUNDE-UHFFFAOYSA-N
XLogP4.06
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.31
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10,15,21,25-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,15,21,25-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?
The IUPAC name of 10,15,21,25-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone (CID 58766233) is 10,15,21,25-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone.
What is the SMILES notation for 10,15,21,25-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?
The canonical SMILES for 10,15,21,25-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone is O=C1NC(=O)c2c(F)cc3c4cc(F)c5c6c(c(F)cc(c7cc(F)c1c2c73)c64)C(=O)NC5=O.
What is the InChIKey of 10,15,21,25-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?
The InChIKey is VZPYLZZDBUUNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H6F4N2O4/c25-9-1-5-6-2-10(26)17-20-14(6)8(4-12(28)18(20)24(34)30-23(17)33)7-3-11(27)16-19(13(5)7)15(9)21(31)29-22(16)32/h1-4H,(H,29,31,32)(H,30,33,34).
What are the key properties of 10,15,21,25-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?
10,15,21,25-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone has a molecular weight of 462.31 g/mol, XLogP of 4.06, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,15,21,25-tetrafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone is sourced from PubChem (CID 58766233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).