9,14,15,16-tetrafluoro-23,26-diazapentacyclo[17.3.1.12,6.17,11.113,17]hexacosa-1(23),2(26),3,5,7(25),8,10,13,15,17(24),19,21-dodecaene-12,18-dione

C24H10F4N2O2 — CID 59342325

IUPAC9,14,15,16-tetrafluoro-23,26-diazapentacyclo[17.3.1.12,6.17,11.113,17]hexacosa-1(23),2(26),3,5,7(25),8,10,13,15,17(24),19,21-dodecaene-12,18-dione
SMILESO=C1c2cc(F)cc(c2)-c2cccc(n2)-c2cccc(n2)C(=O)c2cc1c(F)c(F)c2F
InChIInChI=1S/C24H10F4N2O2/c25-13-8-11-7-12(9-13)23(31)14-10-15(21(27)22(28)20(14)26)24(32)19-6-2-5-18(30-19)17-4-1-3-16(11)29-17/h1-10H
InChIKeyNHLNVJJETPLZSP-UHFFFAOYSA-N
MW434.35 g/mol
LogP5.14
Rot. Bonds

About 9,14,15,16-tetrafluoro-23,26-diazapentacyclo[17.3.1.12,6.17,11.113,17]hexacosa-1(23),2(26),3,5,7(25),8,10,13,15,17(24),19,21-dodecaene-12,18-dione

9,14,15,16-tetrafluoro-23,26-diazapentacyclo[17.3.1.12,6.17,11.113,17]hexacosa-1(23),2(26),3,5,7(25),8,10,13,15,17(24),19,21-dodecaene-12,18-dione (PubChem CID 59342325) has the molecular formula C24H10F4N2O2 and a molecular weight of 434.35 g/mol. Its IUPAC name is 9,14,15,16-tetrafluoro-23,26-diazapentacyclo[17.3.1.12,6.17,11.113,17]hexacosa-1(23),2(26),3,5,7(25),8,10,13,15,17(24),19,21-dodecaene-12,18-dione.

Molecular Properties

Compound Name9,14,15,16-tetrafluoro-23,26-diazapentacyclo[17.3.1.12,6.17,11.113,17]hexacosa-1(23),2(26),3,5,7(25),8,10,13,15,17(24),19,21-dodecaene-12,18-dione
PubChem CID59342325
Molecular FormulaC24H10F4N2O2
Molecular Weight434.35 g/mol
Exact Mass434.07
IUPAC Name9,14,15,16-tetrafluoro-23,26-diazapentacyclo[17.3.1.12,6.17,11.113,17]hexacosa-1(23),2(26),3,5,7(25),8,10,13,15,17(24),19,21-dodecaene-12,18-dione
SMILESO=C1c2cc(F)cc(c2)-c2cccc(n2)-c2cccc(n2)C(=O)c2cc1c(F)c(F)c2F
InChIInChI=1S/C24H10F4N2O2/c25-13-8-11-7-12(9-13)23(31)14-10-15(21(27)22(28)20(14)26)24(32)19-6-2-5-18(30-19)17-4-1-3-16(11)29-17/h1-10H
InChIKeyNHLNVJJETPLZSP-UHFFFAOYSA-N
XLogP5.14
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.35
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 9,14,15,16-tetrafluoro-23,26-diazapentacyclo[17.3.1.12,6.17,11.113,17]hexacosa-1(23),2(26),3,5,7(25),8,10,13,15,17(24),19,21-dodecaene-12,18-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,14,15,16-tetrafluoro-23,26-diazapentacyclo[17.3.1.12,6.17,11.113,17]hexacosa-1(23),2(26),3,5,7(25),8,10,13,15,17(24),19,21-dodecaene-12,18-dione?
The IUPAC name of 9,14,15,16-tetrafluoro-23,26-diazapentacyclo[17.3.1.12,6.17,11.113,17]hexacosa-1(23),2(26),3,5,7(25),8,10,13,15,17(24),19,21-dodecaene-12,18-dione (CID 59342325) is 9,14,15,16-tetrafluoro-23,26-diazapentacyclo[17.3.1.12,6.17,11.113,17]hexacosa-1(23),2(26),3,5,7(25),8,10,13,15,17(24),19,21-dodecaene-12,18-dione.
What is the SMILES notation for 9,14,15,16-tetrafluoro-23,26-diazapentacyclo[17.3.1.12,6.17,11.113,17]hexacosa-1(23),2(26),3,5,7(25),8,10,13,15,17(24),19,21-dodecaene-12,18-dione?
The canonical SMILES for 9,14,15,16-tetrafluoro-23,26-diazapentacyclo[17.3.1.12,6.17,11.113,17]hexacosa-1(23),2(26),3,5,7(25),8,10,13,15,17(24),19,21-dodecaene-12,18-dione is O=C1c2cc(F)cc(c2)-c2cccc(n2)-c2cccc(n2)C(=O)c2cc1c(F)c(F)c2F.
What is the InChIKey of 9,14,15,16-tetrafluoro-23,26-diazapentacyclo[17.3.1.12,6.17,11.113,17]hexacosa-1(23),2(26),3,5,7(25),8,10,13,15,17(24),19,21-dodecaene-12,18-dione?
The InChIKey is NHLNVJJETPLZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10F4N2O2/c25-13-8-11-7-12(9-13)23(31)14-10-15(21(27)22(28)20(14)26)24(32)19-6-2-5-18(30-19)17-4-1-3-16(11)29-17/h1-10H.
What are the key properties of 9,14,15,16-tetrafluoro-23,26-diazapentacyclo[17.3.1.12,6.17,11.113,17]hexacosa-1(23),2(26),3,5,7(25),8,10,13,15,17(24),19,21-dodecaene-12,18-dione?
9,14,15,16-tetrafluoro-23,26-diazapentacyclo[17.3.1.12,6.17,11.113,17]hexacosa-1(23),2(26),3,5,7(25),8,10,13,15,17(24),19,21-dodecaene-12,18-dione has a molecular weight of 434.35 g/mol, XLogP of 5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,14,15,16-tetrafluoro-23,26-diazapentacyclo[17.3.1.12,6.17,11.113,17]hexacosa-1(23),2(26),3,5,7(25),8,10,13,15,17(24),19,21-dodecaene-12,18-dione is sourced from PubChem (CID 59342325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).