4,11-dimethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

C24H19N3O2 — CID 164669545

IUPAC4,11-dimethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione
SMILESCc1ccc2c(c1)C1c3ccc(C)cc3C2n2c(=O)n(-c3ccccc3)c(=O)n21
InChIInChI=1S/C24H19N3O2/c1-14-8-10-17-19(12-14)21-18-11-9-15(2)13-20(18)22(17)27-24(29)25(23(28)26(21)27)16-6-4-3-5-7-16/h3-13,21-22H,1-2H3
InChIKeyMYNGNQTXGMWZLI-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.32
Rot. Bonds1

About 4,11-dimethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

4,11-dimethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione (PubChem CID 164669545) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4,11-dimethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione.

Molecular Properties

Compound Name4,11-dimethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione
PubChem CID164669545
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name4,11-dimethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione
SMILESCc1ccc2c(c1)C1c3ccc(C)cc3C2n2c(=O)n(-c3ccccc3)c(=O)n21
InChIInChI=1S/C24H19N3O2/c1-14-8-10-17-19(12-14)21-18-11-9-15(2)13-20(18)22(17)27-24(29)25(23(28)26(21)27)16-6-4-3-5-7-16/h3-13,21-22H,1-2H3
InChIKeyMYNGNQTXGMWZLI-UHFFFAOYSA-N
XLogP3.32
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,11-dimethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione with MolForge

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Related Compounds

17-Phenyl-15,17,19-triazapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2844431
(2S,15R)-25-methyl-5-(trifluoromethyl)-23,25,27-triazaheptacyclo[14.6.5.02,15.03,8.09,14.017,22.023,27]heptacosa-3(8),4,6,9,11,13,17,19,21-nonaene-24,26-dione
CID 177854232
4-Benzyl-2,15-dimethyl-2,4,13,15-tetrazapentacyclo[11.8.0.01,5.06,11.016,21]henicosa-6,8,10,16,18,20-hexaene-3,14-dione
CID 24887862
1,8-Dimethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 101952498
1,8,17-Triphenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 101952499
17-[2,6-Di(propan-2-yl)phenyl]-1,8-dimethyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 101952500
17-[2,6-Di(propan-2-yl)phenyl]-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 101952501
(1S,7S,8E,10Z,12Z)-4,7-diphenyl-2,4,6-triazatricyclo[6.5.1.02,6]tetradeca-8,10,12-triene-3,5-dione
CID 139206241
1-Chloro-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 139242462
1,17-Diphenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 139242463
1,8-Diethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 139242465
3,10,15-Triphenyl-13,15,17-triazapentacyclo[10.5.2.02,11.04,9.013,17]nonadeca-2,4,6,8,10,18-hexaene-14,16-dione
CID 139244474

Frequently Asked Questions

What is the IUPAC name of 4,11-dimethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione?
The IUPAC name of 4,11-dimethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione (CID 164669545) is 4,11-dimethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione.
What is the SMILES notation for 4,11-dimethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione?
The canonical SMILES for 4,11-dimethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione is Cc1ccc2c(c1)C1c3ccc(C)cc3C2n2c(=O)n(-c3ccccc3)c(=O)n21.
What is the InChIKey of 4,11-dimethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione?
The InChIKey is MYNGNQTXGMWZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-14-8-10-17-19(12-14)21-18-11-9-15(2)13-20(18)22(17)27-24(29)25(23(28)26(21)27)16-6-4-3-5-7-16/h3-13,21-22H,1-2H3.
What are the key properties of 4,11-dimethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione?
4,11-dimethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione has a molecular weight of 381.44 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dimethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione is sourced from PubChem (CID 164669545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).