10,13-difluoro-5,10,12,15,18-pentamethyl-1,5-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),8,11(19),13,16-pentaene

C22H26F2N2 — CID 129159678

IUPAC10,13-difluoro-5,10,12,15,18-pentamethyl-1,5-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),8,11(19),13,16-pentaene
SMILESCC1C(F)=CC2(C)C=CN3C4=C(CN(C)CC4)C4=CC(C)(F)C1=C2C43C
InChIInChI=1S/C22H26F2N2/c1-13-16(23)11-20(2)7-9-26-17-6-8-25(5)12-14(17)15-10-21(3,24)18(13)19(20)22(15,26)4/h7,9-11,13H,6,8,12H2,1-5H3
InChIKeyAEEBGUSIOQNYNG-UHFFFAOYSA-N
MW356.46 g/mol
LogP4.65
Rot. Bonds

About 10,13-difluoro-5,10,12,15,18-pentamethyl-1,5-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),8,11(19),13,16-pentaene

10,13-difluoro-5,10,12,15,18-pentamethyl-1,5-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),8,11(19),13,16-pentaene (PubChem CID 129159678) has the molecular formula C22H26F2N2 and a molecular weight of 356.46 g/mol. Its IUPAC name is 10,13-difluoro-5,10,12,15,18-pentamethyl-1,5-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),8,11(19),13,16-pentaene.

Molecular Properties

Compound Name10,13-difluoro-5,10,12,15,18-pentamethyl-1,5-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),8,11(19),13,16-pentaene
PubChem CID129159678
Molecular FormulaC22H26F2N2
Molecular Weight356.46 g/mol
Exact Mass356.21
IUPAC Name10,13-difluoro-5,10,12,15,18-pentamethyl-1,5-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),8,11(19),13,16-pentaene
SMILESCC1C(F)=CC2(C)C=CN3C4=C(CN(C)CC4)C4=CC(C)(F)C1=C2C43C
InChIInChI=1S/C22H26F2N2/c1-13-16(23)11-20(2)7-9-26-17-6-8-25(5)12-14(17)15-10-21(3,24)18(13)19(20)22(15,26)4/h7,9-11,13H,6,8,12H2,1-5H3
InChIKeyAEEBGUSIOQNYNG-UHFFFAOYSA-N
XLogP4.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10,13-difluoro-5,10,12,15,18-pentamethyl-1,5-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),8,11(19),13,16-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,13-difluoro-5,10,12,15,18-pentamethyl-1,5-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),8,11(19),13,16-pentaene?
The IUPAC name of 10,13-difluoro-5,10,12,15,18-pentamethyl-1,5-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),8,11(19),13,16-pentaene (CID 129159678) is 10,13-difluoro-5,10,12,15,18-pentamethyl-1,5-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),8,11(19),13,16-pentaene.
What is the SMILES notation for 10,13-difluoro-5,10,12,15,18-pentamethyl-1,5-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),8,11(19),13,16-pentaene?
The canonical SMILES for 10,13-difluoro-5,10,12,15,18-pentamethyl-1,5-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),8,11(19),13,16-pentaene is CC1C(F)=CC2(C)C=CN3C4=C(CN(C)CC4)C4=CC(C)(F)C1=C2C43C.
What is the InChIKey of 10,13-difluoro-5,10,12,15,18-pentamethyl-1,5-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),8,11(19),13,16-pentaene?
The InChIKey is AEEBGUSIOQNYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2/c1-13-16(23)11-20(2)7-9-26-17-6-8-25(5)12-14(17)15-10-21(3,24)18(13)19(20)22(15,26)4/h7,9-11,13H,6,8,12H2,1-5H3.
What are the key properties of 10,13-difluoro-5,10,12,15,18-pentamethyl-1,5-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),8,11(19),13,16-pentaene?
10,13-difluoro-5,10,12,15,18-pentamethyl-1,5-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),8,11(19),13,16-pentaene has a molecular weight of 356.46 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,13-difluoro-5,10,12,15,18-pentamethyl-1,5-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),8,11(19),13,16-pentaene is sourced from PubChem (CID 129159678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).