11,14,22,26-tetrafluoro-19-hydroxy-7,18-dimethyl-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-trione

C26H12F4N2O4 — CID 148891967

IUPAC11,14,22,26-tetrafluoro-19-hydroxy-7,18-dimethyl-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-trione
SMILESCN1C(=O)c2cc(F)c3c4c(F)cc5c6c(cc(F)c(c7c(F)cc(c2c37)C1=O)c64)C(O)N(C)C5=O
InChIInChI=1S/C26H12F4N2O4/c1-31-23(33)7-3-11(27)17-19-13(29)5-9-16-10(26(36)32(2)25(9)35)6-14(30)20(22(16)19)18-12(28)4-8(24(31)34)15(7)21(17)18/h3-6,23,33H,1-2H3
InChIKeyPFCPGFASRWGMBA-UHFFFAOYSA-N
MW492.38 g/mol
LogP4.60
Rot. Bonds

About 11,14,22,26-tetrafluoro-19-hydroxy-7,18-dimethyl-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-trione

11,14,22,26-tetrafluoro-19-hydroxy-7,18-dimethyl-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-trione (PubChem CID 148891967) has the molecular formula C26H12F4N2O4 and a molecular weight of 492.38 g/mol. Its IUPAC name is 11,14,22,26-tetrafluoro-19-hydroxy-7,18-dimethyl-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-trione.

Molecular Properties

Compound Name11,14,22,26-tetrafluoro-19-hydroxy-7,18-dimethyl-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-trione
PubChem CID148891967
Molecular FormulaC26H12F4N2O4
Molecular Weight492.38 g/mol
Exact Mass492.07
IUPAC Name11,14,22,26-tetrafluoro-19-hydroxy-7,18-dimethyl-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-trione
SMILESCN1C(=O)c2cc(F)c3c4c(F)cc5c6c(cc(F)c(c7c(F)cc(c2c37)C1=O)c64)C(O)N(C)C5=O
InChIInChI=1S/C26H12F4N2O4/c1-31-23(33)7-3-11(27)17-19-13(29)5-9-16-10(26(36)32(2)25(9)35)6-14(30)20(22(16)19)18-12(28)4-8(24(31)34)15(7)21(17)18/h3-6,23,33H,1-2H3
InChIKeyPFCPGFASRWGMBA-UHFFFAOYSA-N
XLogP4.60
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.38
LogP ≤ 54.60
H-Bond Donors ≤ 51
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 11,14,22,26-tetrafluoro-19-hydroxy-7,18-dimethyl-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-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,14,22,26-tetrafluoro-19-hydroxy-7,18-dimethyl-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-trione?
The IUPAC name of 11,14,22,26-tetrafluoro-19-hydroxy-7,18-dimethyl-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-trione (CID 148891967) is 11,14,22,26-tetrafluoro-19-hydroxy-7,18-dimethyl-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-trione.
What is the SMILES notation for 11,14,22,26-tetrafluoro-19-hydroxy-7,18-dimethyl-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-trione?
The canonical SMILES for 11,14,22,26-tetrafluoro-19-hydroxy-7,18-dimethyl-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-trione is CN1C(=O)c2cc(F)c3c4c(F)cc5c6c(cc(F)c(c7c(F)cc(c2c37)C1=O)c64)C(O)N(C)C5=O.
What is the InChIKey of 11,14,22,26-tetrafluoro-19-hydroxy-7,18-dimethyl-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-trione?
The InChIKey is PFCPGFASRWGMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12F4N2O4/c1-31-23(33)7-3-11(27)17-19-13(29)5-9-16-10(26(36)32(2)25(9)35)6-14(30)20(22(16)19)18-12(28)4-8(24(31)34)15(7)21(17)18/h3-6,23,33H,1-2H3.
What are the key properties of 11,14,22,26-tetrafluoro-19-hydroxy-7,18-dimethyl-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-trione?
11,14,22,26-tetrafluoro-19-hydroxy-7,18-dimethyl-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-trione has a molecular weight of 492.38 g/mol, XLogP of 4.60, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,14,22,26-tetrafluoro-19-hydroxy-7,18-dimethyl-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-trione is sourced from PubChem (CID 148891967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).