5,6,9,9,20,20-hexamethyl-4,7,15-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene

C23H23N3 — CID 170363520

IUPAC5,6,9,9,20,20-hexamethyl-4,7,15-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
SMILESCc1nc2c(nc1C)C(C)(C)c1ccc3c(c1-2)C(C)(C)c1cccnc1-3
InChIInChI=1S/C23H23N3/c1-12-13(2)26-21-20(25-12)17-15(23(21,5)6)10-9-14-18(17)22(3,4)16-8-7-11-24-19(14)16/h7-11H,1-6H3
InChIKeyHUHXKHMWONEWTF-UHFFFAOYSA-N
MW341.46 g/mol
LogP5.10
Rot. Bonds

About 5,6,9,9,20,20-hexamethyl-4,7,15-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene

5,6,9,9,20,20-hexamethyl-4,7,15-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene (PubChem CID 170363520) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 5,6,9,9,20,20-hexamethyl-4,7,15-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene.

Molecular Properties

Compound Name5,6,9,9,20,20-hexamethyl-4,7,15-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
PubChem CID170363520
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name5,6,9,9,20,20-hexamethyl-4,7,15-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
SMILESCc1nc2c(nc1C)C(C)(C)c1ccc3c(c1-2)C(C)(C)c1cccnc1-3
InChIInChI=1S/C23H23N3/c1-12-13(2)26-21-20(25-12)17-15(23(21,5)6)10-9-14-18(17)22(3,4)16-8-7-11-24-19(14)16/h7-11H,1-6H3
InChIKeyHUHXKHMWONEWTF-UHFFFAOYSA-N
XLogP5.10
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,6,9,9,20,20-hexamethyl-4,7,15-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene with MolForge

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Related Compounds

12,12,23,23-tetramethyl-6,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3(8),4,6,9,14,16(24),17(22),18,20-undecaene
CID 170363282
3,3,14,14-tetramethyl-15-oxa-8,17-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16(21),17,19-nonaene
CID 170363604
9,9,20,20-tetramethyl-6-propan-2-yl-15-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 170363221
3,3,14,14-tetramethyl-8,22-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene
CID 170363337
3,3,14,14-tetramethyl-15-oxa-8-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaene
CID 170363577
5,5,7-trimethyl-6-[1-methyl-6-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[1,2-b]pyridine
CID 123768429
5,5,9-trimethylindeno[1,2-b]pyridine
CID 58050073
9,9,20,20-tetramethyl-5-propan-2-yl-15-aza-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 174147918
5,20,20-trimethyl-9-oxa-4,6,15-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 170363195
8,8,19,19-tetramethyl-3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(22),2(7),3,5,9(23),10,12(24),13(18),14,16-decaene
CID 163707899
beryllium bis(5,5-dimethylindeno[1,2-b]pyridin-9-olate)
CID 58049972
8-[4,6-bis(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-1,3,5-triazin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59747246

Frequently Asked Questions

What is the IUPAC name of 5,6,9,9,20,20-hexamethyl-4,7,15-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
The IUPAC name of 5,6,9,9,20,20-hexamethyl-4,7,15-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene (CID 170363520) is 5,6,9,9,20,20-hexamethyl-4,7,15-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene.
What is the SMILES notation for 5,6,9,9,20,20-hexamethyl-4,7,15-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
The canonical SMILES for 5,6,9,9,20,20-hexamethyl-4,7,15-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene is Cc1nc2c(nc1C)C(C)(C)c1ccc3c(c1-2)C(C)(C)c1cccnc1-3.
What is the InChIKey of 5,6,9,9,20,20-hexamethyl-4,7,15-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
The InChIKey is HUHXKHMWONEWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-12-13(2)26-21-20(25-12)17-15(23(21,5)6)10-9-14-18(17)22(3,4)16-8-7-11-24-19(14)16/h7-11H,1-6H3.
What are the key properties of 5,6,9,9,20,20-hexamethyl-4,7,15-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
5,6,9,9,20,20-hexamethyl-4,7,15-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene has a molecular weight of 341.46 g/mol, XLogP of 5.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,9,9,20,20-hexamethyl-4,7,15-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene is sourced from PubChem (CID 170363520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).