10-fluoro-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

C22H27FN2 — CID 129159707

IUPAC10-fluoro-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=CC2(C)C=CN3C4=C(CN(C)CC4)C4=CC(C)(F)C1=C2C43C
InChIInChI=1S/C22H27FN2/c1-14-6-8-20(2)9-11-25-17-7-10-24(5)13-15(17)16-12-21(3,23)18(14)19(20)22(16,25)4/h6,8-9,11-12,14H,7,10,13H2,1-5H3
InChIKeyXMAXYHFCCUZEJR-UHFFFAOYSA-N
MW338.47 g/mol
LogP4.35
Rot. Bonds

About 10-fluoro-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-fluoro-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 129159707) has the molecular formula C22H27FN2 and a molecular weight of 338.47 g/mol. Its IUPAC name is 10-fluoro-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-fluoro-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 CID129159707
Molecular FormulaC22H27FN2
Molecular Weight338.47 g/mol
Exact Mass338.22
IUPAC Name10-fluoro-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=CC2(C)C=CN3C4=C(CN(C)CC4)C4=CC(C)(F)C1=C2C43C
InChIInChI=1S/C22H27FN2/c1-14-6-8-20(2)9-11-25-17-7-10-24(5)13-15(17)16-12-21(3,23)18(14)19(20)22(16,25)4/h6,8-9,11-12,14H,7,10,13H2,1-5H3
InChIKeyXMAXYHFCCUZEJR-UHFFFAOYSA-N
XLogP4.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-fluoro-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-fluoro-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-fluoro-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 129159707) is 10-fluoro-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-fluoro-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-fluoro-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=CC2(C)C=CN3C4=C(CN(C)CC4)C4=CC(C)(F)C1=C2C43C.
What is the InChIKey of 10-fluoro-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 XMAXYHFCCUZEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2/c1-14-6-8-20(2)9-11-25-17-7-10-24(5)13-15(17)16-12-21(3,23)18(14)19(20)22(16,25)4/h6,8-9,11-12,14H,7,10,13H2,1-5H3.
What are the key properties of 10-fluoro-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-fluoro-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 338.47 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-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 129159707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).