10,11,14,15,21,22,25,26-octafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

C24H2F8N2O4 — CID 25222260

IUPAC10,11,14,15,21,22,25,26-octafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
SMILESO=C1NC(=O)c2c(F)c(F)c3c4c(F)c(F)c5c6c(c(F)c(F)c(c7c(F)c(F)c1c2c73)c64)C(=O)NC5=O
InChIInChI=1S/C24H2F8N2O4/c25-13-5-1-3-9(17(13)29)21(35)33-22(36)10(3)18(30)14(26)6(1)8-2-4-11(19(31)15(27)7(2)5)23(37)34-24(38)12(4)20(32)16(8)28/h(H,33,35,36)(H,34,37,38)
InChIKeyOSLLMPHTAVZQDQ-UHFFFAOYSA-N
MW534.27 g/mol
LogP4.62
Rot. Bonds

About 10,11,14,15,21,22,25,26-octafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

10,11,14,15,21,22,25,26-octafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone (PubChem CID 25222260) has the molecular formula C24H2F8N2O4 and a molecular weight of 534.27 g/mol. Its IUPAC name is 10,11,14,15,21,22,25,26-octafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone.

Molecular Properties

Compound Name10,11,14,15,21,22,25,26-octafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
PubChem CID25222260
Molecular FormulaC24H2F8N2O4
Molecular Weight534.27 g/mol
Exact Mass533.99
IUPAC Name10,11,14,15,21,22,25,26-octafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
SMILESO=C1NC(=O)c2c(F)c(F)c3c4c(F)c(F)c5c6c(c(F)c(F)c(c7c(F)c(F)c1c2c73)c64)C(=O)NC5=O
InChIInChI=1S/C24H2F8N2O4/c25-13-5-1-3-9(17(13)29)21(35)33-22(36)10(3)18(30)14(26)6(1)8-2-4-11(19(31)15(27)7(2)5)23(37)34-24(38)12(4)20(32)16(8)28/h(H,33,35,36)(H,34,37,38)
InChIKeyOSLLMPHTAVZQDQ-UHFFFAOYSA-N
XLogP4.62
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.27
LogP ≤ 54.62
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 10,11,14,15,21,22,25,26-octafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10,11,14,15,21,22,25,26-octafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
The IUPAC name of 10,11,14,15,21,22,25,26-octafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone (CID 25222260) is 10,11,14,15,21,22,25,26-octafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone.
What is the SMILES notation for 10,11,14,15,21,22,25,26-octafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
The canonical SMILES for 10,11,14,15,21,22,25,26-octafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone is O=C1NC(=O)c2c(F)c(F)c3c4c(F)c(F)c5c6c(c(F)c(F)c(c7c(F)c(F)c1c2c73)c64)C(=O)NC5=O.
What is the InChIKey of 10,11,14,15,21,22,25,26-octafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
The InChIKey is OSLLMPHTAVZQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H2F8N2O4/c25-13-5-1-3-9(17(13)29)21(35)33-22(36)10(3)18(30)14(26)6(1)8-2-4-11(19(31)15(27)7(2)5)23(37)34-24(38)12(4)20(32)16(8)28/h(H,33,35,36)(H,34,37,38).
What are the key properties of 10,11,14,15,21,22,25,26-octafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
10,11,14,15,21,22,25,26-octafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone has a molecular weight of 534.27 g/mol, XLogP of 4.62, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11,14,15,21,22,25,26-octafluoro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone is sourced from PubChem (CID 25222260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).